(1S)-2,2-dimethylcyclohexan-1-ol

C8H16O — CID 638180

IUPAC(1S)-2,2-dimethylcyclohexan-1-ol
SMILESCC1(C)CCCC[C@@H]1O
InChIInChI=1S/C8H16O/c1-8(2)6-4-3-5-7(8)9/h7,9H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyBYBYZPFVXFPCND-ZETCQYMHSA-N
MW128.22 g/mol
LogP1.95
Rot. Bonds

About (1S)-2,2-dimethylcyclohexan-1-ol

(1S)-2,2-dimethylcyclohexan-1-ol (PubChem CID 638180) has the molecular formula C8H16O and a molecular weight of 128.22 g/mol. Its IUPAC name is (1S)-2,2-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name(1S)-2,2-dimethylcyclohexan-1-ol
PubChem CID638180
Molecular FormulaC8H16O
Molecular Weight128.22 g/mol
Exact Mass128.12
IUPAC Name(1S)-2,2-dimethylcyclohexan-1-ol
SMILESCC1(C)CCCC[C@@H]1O
InChIInChI=1S/C8H16O/c1-8(2)6-4-3-5-7(8)9/h7,9H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyBYBYZPFVXFPCND-ZETCQYMHSA-N
XLogP1.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-dimethylcyclohexan-1-ol?
The IUPAC name of (1S)-2,2-dimethylcyclohexan-1-ol (CID 638180) is (1S)-2,2-dimethylcyclohexan-1-ol.
What is the SMILES notation for (1S)-2,2-dimethylcyclohexan-1-ol?
The canonical SMILES for (1S)-2,2-dimethylcyclohexan-1-ol is CC1(C)CCCC[C@@H]1O.
What is the InChIKey of (1S)-2,2-dimethylcyclohexan-1-ol?
The InChIKey is BYBYZPFVXFPCND-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16O/c1-8(2)6-4-3-5-7(8)9/h7,9H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of (1S)-2,2-dimethylcyclohexan-1-ol?
(1S)-2,2-dimethylcyclohexan-1-ol has a molecular weight of 128.22 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-dimethylcyclohexan-1-ol is sourced from PubChem (CID 638180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).