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5435-91-6,MFCD03844434
Catalog No.:AA00D7Z1

5435-91-6 | 5,5-Dimethyl-3-oxo-hexanoic acid ethyl ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
95%
in stock  
$182.00   $128.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00D7Z1
Chemical Name:
5,5-Dimethyl-3-oxo-hexanoic acid ethyl ester
CAS Number:
5435-91-6
Molecular Formula:
C10H18O3
Molecular Weight:
186.2481
MDL Number:
MFCD03844434
SMILES:
CCOC(=O)CC(=O)CC(C)(C)C
NSC Number:
21378
Properties
Computed Properties
 
Complexity:
189  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.9  

Downstream Synthesis Route
5435-91-6   
2,5,5-trimethyl-3-oxo-hexanoicacidethylester 

[1]Reid;Fortenbaugh[JournalofOrganicChemistry,1951,vol.16,p.33,38]

5435-91-6    100-63-0   
5-neopentyl-2-phenyl-1,2-dihydro-pyrazol-3-one 

[1]Wallingford;Homeyer;Jones[JournaloftheAmericanChemicalSociety,1941,vol.63,p.2252]

[1]Wallingford;Homeyer;Jones[JournaloftheAmericanChemicalSociety,1941,vol.63,p.2252]

[2]CurrentPatentAssignee:SANOFI-US2005/182104,2005,A1Locationinpatent:Page/Pagecolumn7

[3]CurrentPatentAssignee:MALLINCKRODTPUBLICLIMITEDCOMPANY-US2367632,1942,ACurrentPatentAssignee:MALLINCKRODTPUBLICLIMITEDCOMPANY-US2407942,1941,A

[1]Trahanovsky,WalterS.;Huang,Yih-chuanJason;Leung,Man-kit[JournalofOrganicChemistry,1994,vol.59,#9,p.2594-2598]

[1]House,HerbertO.;Outcalt,RussellJ.;Cliffton,MichaelD.[JournalofOrganicChemistry,1982,vol.47,#12,p.2413-2419]

Literature
Quotation Request
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SDS
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Tags:5435-91-6 Molecular Formula|5435-91-6 MDL|5435-91-6 SMILES|5435-91-6 5,5-Dimethyl-3-oxo-hexanoic acid ethyl ester
Catalog No.: AA00D7Z1
5435-91-6,MFCD03844434
5435-91-6 | 5,5-Dimethyl-3-oxo-hexanoic acid ethyl ester
Pack Size： 5g
Purity： 95%
in stock
$182.00 $128.00
Quantity
- +
Add to Card
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Technical Information
Catalog Number: AA00D7Z1
Chemical Name: 5,5-Dimethyl-3-oxo-hexanoic acid ethyl ester
CAS Number: 5435-91-6
Molecular Formula: C10H18O3
Molecular Weight: 186.2481
MDL Number: MFCD03844434
SMILES: CCOC(=O)CC(=O)CC(C)(C)C
NSC Number: 21378
Properties
Complexity: 189  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 6  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.9  
Downstream Synthesis Route
5435-91-6   
2,5,5-trimethyl-3-oxo-hexanoicacidethylester 

[1]Reid;Fortenbaugh[JournalofOrganicChemistry,1951,vol.16,p.33,38]

5435-91-6    100-63-0   
5-neopentyl-2-phenyl-1,2-dihydro-pyrazol-3-one 

[1]Wallingford;Homeyer;Jones[JournaloftheAmericanChemicalSociety,1941,vol.63,p.2252]

590-50-1    105-58-8    5435-91-6 

[1]Wallingford;Homeyer;Jones[JournaloftheAmericanChemicalSociety,1941,vol.63,p.2252]

[2]CurrentPatentAssignee:SANOFI-US2005/182104,2005,A1Locationinpatent:Page/Pagecolumn7

[3]CurrentPatentAssignee:MALLINCKRODTPUBLICLIMITEDCOMPANY-US2367632,1942,ACurrentPatentAssignee:MALLINCKRODTPUBLICLIMITEDCOMPANY-US2407942,1941,A

107-20-0    5435-91-6    153625-94-6 

[1]Trahanovsky,WalterS.;Huang,Yih-chuanJason;Leung,Man-kit[JournalofOrganicChemistry,1994,vol.59,#9,p.2594-2598]

930-68-7    5435-91-6    81408-09-5 

[1]House,HerbertO.;Outcalt,RussellJ.;Cliffton,MichaelD.[JournalofOrganicChemistry,1982,vol.47,#12,p.2413-2419]

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