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20691-53-6 | Cyclohexanemethanol, 4-(1,1-dimethylethyl)-
CAS No: 20691-53-6 Catalog No: AG002IS0 MDL No:
Product Description
Catalog Number:
AG002IS0
Chemical Name:
Cyclohexanemethanol, 4-(1,1-dimethylethyl)-
CAS Number:
20691-53-6
Molecular Formula:
C11H22O
Molecular Weight:
170.2918
IUPAC Name:
(4-tert-butylcyclohexyl)methanol
InChI:
InChI=1S/C11H22O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h9-10,12H,4-8H2,1-3H3
InChI Key:
GGWBQKOXLMPNMS-UHFFFAOYSA-N
SMILES:
OCC1CCC(CC1)C(C)(C)C
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.167g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.296g/mol
Monoisotopic Mass:
170.167g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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