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51513-41-8,MFCD22570644
Catalog No.:AA00DK9Z

51513-41-8 | 2,7-Dimethyloctane-3,6-dione

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
2 weeks  
$140.00   $98.00
- +
5g
95%
2 weeks  
$377.00   $264.00
- +
25g
95%
2 weeks  
$722.00   $505.00
- +
100g
95%
2 weeks  
$1,424.00   $997.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00DK9Z
Chemical Name:
2,7-Dimethyloctane-3,6-dione
CAS Number:
51513-41-8
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
MDL Number:
MFCD22570644
SMILES:
CC(C(=O)CCC(=O)C(C)C)C
Properties
Computed Properties
 
Complexity:
149  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.6  

Downstream Synthesis Route

[1]Chassin,C.etal.[JournaloftheAmericanChemicalSociety,1974,vol.96,#2,p.606-608]

[1]Trani;Bellasio[Farmaco,EdizioneScientifica,1983,vol.38,#12,p.940-949]

[2]CurrentPatentAssignee:SANOFI-US3979408,1976,A

[1]JournaloftheAmericanChemicalSociety,2010,vol.132,p.8349-8358

[1]Reithofer,MichaelR.;Dobereiner,GrahamE.;Schrock,RichardR.;Mueller,Peter[Organometallics,2013,vol.32,#9,p.2489-2492]

[2]CurrentPatentAssignee:MASSACHUSETTSINSTITUTEOFTECHNOLOGY-US2014/316088,2014,A1Locationinpatent:Paragraph0341

Literature
Quotation Request
Company Name:
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Contact Person:
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Quantity Required:
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Additional Info:
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SDS
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Tags:51513-41-8 Molecular Formula|51513-41-8 MDL|51513-41-8 SMILES|51513-41-8 2,7-Dimethyloctane-3,6-dione
Catalog No.: AA00DK9Z
51513-41-8,MFCD22570644
51513-41-8 | 2,7-Dimethyloctane-3,6-dione
Pack Size： 1g
Purity： 95%
2 weeks
$140.00 $98.00
Pack Size： 5g
Purity： 95%
2 weeks
$377.00 $264.00
Pack Size： 25g
Purity： 95%
2 weeks
$722.00 $505.00
Pack Size： 100g
Purity： 95%
2 weeks
$1,424.00 $997.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00DK9Z
Chemical Name: 2,7-Dimethyloctane-3,6-dione
CAS Number: 51513-41-8
Molecular Formula: C10H18O2
Molecular Weight: 170.2487
MDL Number: MFCD22570644
SMILES: CC(C(=O)CCC(=O)C(C)C)C
Properties
Complexity: 149  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.6  
Downstream Synthesis Route
1518-06-5    51513-41-8 

[1]Chassin,C.etal.[JournaloftheAmericanChemicalSociety,1974,vol.96,#2,p.606-608]

55959-84-7    51513-41-8    55959-72-3 

[1]Trani;Bellasio[Farmaco,EdizioneScientifica,1983,vol.38,#12,p.940-949]

[2]CurrentPatentAssignee:SANOFI-US3979408,1976,A

33786-90-2    51513-41-8    1232366-57-2 

[1]JournaloftheAmericanChemicalSociety,2010,vol.132,p.8349-8358

32114-60-6    51513-41-8    1432480-22-2 

[1]Reithofer,MichaelR.;Dobereiner,GrahamE.;Schrock,RichardR.;Mueller,Peter[Organometallics,2013,vol.32,#9,p.2489-2492]

[2]CurrentPatentAssignee:MASSACHUSETTSINSTITUTEOFTECHNOLOGY-US2014/316088,2014,A1Locationinpatent:Paragraph0341

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