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102369-67-5,MFCD21324307
Catalog No.:AA00077M
102369-67-5 | (3,3-Dimethylcyclohexyl)methanol
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Technical Information
Catalog Number:
AA00077M
Chemical Name:
(3,3-Dimethylcyclohexyl)methanol
CAS Number:
102369-67-5
Molecular Formula:
C9H18O
Molecular Weight:
142.2386
MDL Number:
MFCD21324307
IUPAC Name:
(3,3-dimethylcyclohexyl)methanol
InChI:
InChI=1S/C9H18O/c1-9(2)5-3-4-8(6-9)7-10/h8,10H,3-7H2,1-2H3
InChI Key:
VJZDBRGSBDTGKQ-UHFFFAOYSA-N
SMILES:
OCC1CCCC(C1)(C)C
Properties
Computed Properties
 
Complexity:
107  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.136g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
142.242g/mol
Monoisotopic Mass:
142.136g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

Synonyms
 
(3,3-dimethylcyclohexyl)methanol 
102369-67-5 
NE57461 
(3,3-dimethyl-1-cyclohexyl)-1-methanol 
FT-0716204 
Z1483950909 
3,3-dimethylCyclohexanemethanol 
Cyclohexanemethanol, 3,3-dimethyl- 
ACMC-20m5de 
SCHEMBL13742190 
CTK0D9092 
DTXSID80554758 
VJZDBRGSBDTGKQ-UHFFFAOYSA-N 
AKOS015262334 
MCULE-8689403766 
Literature
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