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14376-79-5,MFCD00001640
Catalog No.:AA003I9E
14376-79-5 | 3,3,5,5-Tetramethylcyclohexanone
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10g
95%
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$98.00   $69.00
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Technical Information
Catalog Number:
AA003I9E
Chemical Name:
3,3,5,5-Tetramethylcyclohexanone
CAS Number:
14376-79-5
Molecular Formula:
C10H18O
Molecular Weight:
154.2493
MDL Number:
MFCD00001640
IUPAC Name:
3,3,5,5-tetramethylcyclohexan-1-one
InChI:
InChI=1S/C10H18O/c1-9(2)5-8(11)6-10(3,4)7-9/h5-7H2,1-4H3
InChI Key:
OQJMHUOCLRCSED-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)CC(C1)(C)C
EC Number:
238-350-3
NSC Number:
91511
Properties
Computed Properties
 
Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.136g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.253g/mol
Monoisotopic Mass:
154.136g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

Synonyms
 
3,3,5,5-Tetramethylcyclohexanone 
14376-79-5 
MFCD00001640 
AC1Q2CKA 
ACMC-1C4RG 
AC1Q6EC8 
SCHEMBL638075 
AC1L37E0 
3,5,5-Tetramethylcyclohexanone 
AMCH00029 
CTK4C3799 
DTXSID20162538 
3,3,5,5-tetramethylcyclohexan-1-one 
Cyclohexanone,3,5,5-tetramethyl- 
3,3,5,5-tetramethyl-cyclohexanone 
ZINC1592407 
NSC-91511 
RB3201 
AKOS015906416 
3,3,5,5-Tetramethyl-1-cyclohexanone 
AM85584 
CS-W008480 
MCULE-4933320408 
Cyclohexanone, 3,3,5,5-tetramethyl- 
NE10112 
TRA0078441 
VZ34850 
3,3,5,5-tetramethyl-cyclohexan-1-one 
AJ-27726 
AK126690 
AS-54429 
SC-69697 
TC-170095 
4CH-022229 
3,3,5,5-Tetramethyl cyclohexanone 
FT-0687855 
ST24041093 
ST50824483 
Y1286 
J-007870 
I14-21711 
Z1623891826 
InChI=1/C10H18O/c1-9(2)5-8(11)6-10(3,4)7-9/h5-7H2,1-4H 
C10H18O 
CID84399 
OQJMHUOCLRCSED-UHFFFAOYSA-N 
AR-1E8420 
C10-H18-O 
3,3,5,5-Tetramethylcyclohexanone, 98% - 10ML 10ml 
14534-95-3 
Cyclohexanone,3,3,5,5-tetramethyl- 
3,3,5,5-Tetramethylcyclohexanone, 98% 
NSC91511 
EINECS 238-350-3 
Literature
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