1,2,2,6,6-pentamethylcyclohexan-1-ol

C11H22O — CID 12772253

IUPAC1,2,2,6,6-pentamethylcyclohexan-1-ol
SMILESCC1(C)CCCC(C)(C)C1(C)O
InChIInChI=1S/C11H22O/c1-9(2)7-6-8-10(3,4)11(9,5)12/h12H,6-8H2,1-5H3
InChIKeyVWAVFLJDWLWAKX-UHFFFAOYSA-N
MW170.30 g/mol
LogP2.97
Rot. Bonds

About 1,2,2,6,6-pentamethylcyclohexan-1-ol

1,2,2,6,6-pentamethylcyclohexan-1-ol (PubChem CID 12772253) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 1,2,2,6,6-pentamethylcyclohexan-1-ol.

Molecular Properties

Compound Name1,2,2,6,6-pentamethylcyclohexan-1-ol
PubChem CID12772253
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name1,2,2,6,6-pentamethylcyclohexan-1-ol
SMILESCC1(C)CCCC(C)(C)C1(C)O
InChIInChI=1S/C11H22O/c1-9(2)7-6-8-10(3,4)11(9,5)12/h12H,6-8H2,1-5H3
InChIKeyVWAVFLJDWLWAKX-UHFFFAOYSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Geosmin
CID 29746
Octahydro-4,8a-dimethyl-4a(2H)-naphthol
CID 1213
(+)-Geosmin
CID 15559490
Dimethylcyclohexanol
CID 164822
Cyclohexanol, 1-ethynyl-2,2,6-trimethyl-, (1R,6S)-rel-
CID 117290
Cyclohexanemethanol, alpha,alpha-dimethyl-
CID 85531
2-Cyclohexyl-hexan-2-ol
CID 568244
2-(4,4-Dimethylcyclohexyl)propan-2-ol
CID 2825220
1-Tert-butylcyclohexan-1-ol
CID 287917
Cyclohexanol, 1,5-dimethyl-2-(1-methylethyl)-
CID 4326184
4a-(2H)-Naphthalenol, octahydro-8a-methyl-, cis-
CID 138427
1-Ethyl-2-methylcyclohexanol
CID 141697

Frequently Asked Questions

What is the IUPAC name of 1,2,2,6,6-pentamethylcyclohexan-1-ol?
The IUPAC name of 1,2,2,6,6-pentamethylcyclohexan-1-ol (CID 12772253) is 1,2,2,6,6-pentamethylcyclohexan-1-ol.
What is the SMILES notation for 1,2,2,6,6-pentamethylcyclohexan-1-ol?
The canonical SMILES for 1,2,2,6,6-pentamethylcyclohexan-1-ol is CC1(C)CCCC(C)(C)C1(C)O.
What is the InChIKey of 1,2,2,6,6-pentamethylcyclohexan-1-ol?
The InChIKey is VWAVFLJDWLWAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-9(2)7-6-8-10(3,4)11(9,5)12/h12H,6-8H2,1-5H3.
What are the key properties of 1,2,2,6,6-pentamethylcyclohexan-1-ol?
1,2,2,6,6-pentamethylcyclohexan-1-ol has a molecular weight of 170.30 g/mol, XLogP of 2.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,6,6-pentamethylcyclohexan-1-ol is sourced from PubChem (CID 12772253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).