(2S)-2,3-dimethylcyclohexan-1-ol

C8H16O — CID 163715322

IUPAC(2S)-2,3-dimethylcyclohexan-1-ol
SMILESCC1CCCC(O)[C@H]1C
InChIInChI=1S/C8H16O/c1-6-4-3-5-8(9)7(6)2/h6-9H,3-5H2,1-2H3/t6?,7-,8?/m0/s1
InChIKeyKMVFQKNNDPKWOX-WTIBDHCWSA-N
MW128.22 g/mol
LogP1.80
Rot. Bonds

About (2S)-2,3-dimethylcyclohexan-1-ol

(2S)-2,3-dimethylcyclohexan-1-ol (PubChem CID 163715322) has the molecular formula C8H16O and a molecular weight of 128.22 g/mol. Its IUPAC name is (2S)-2,3-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name(2S)-2,3-dimethylcyclohexan-1-ol
PubChem CID163715322
Molecular FormulaC8H16O
Molecular Weight128.22 g/mol
Exact Mass128.12
IUPAC Name(2S)-2,3-dimethylcyclohexan-1-ol
SMILESCC1CCCC(O)[C@H]1C
InChIInChI=1S/C8H16O/c1-6-4-3-5-8(9)7(6)2/h6-9H,3-5H2,1-2H3/t6?,7-,8?/m0/s1
InChIKeyKMVFQKNNDPKWOX-WTIBDHCWSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1S,2R)-2-methylcyclopentan-1-ol
CID 642631
ethane;2-methylcyclohexan-1-ol;2-methylcyclopentan-1-ol
CID 157029785
bis(cis-(1R,3S)-1,2,3-trimethylcyclohexane);ethane;trans-(1R,3R)-1,2,3-trimethylcyclohexane;trans-(1S,3S)-1,2,3-trimethylcyclohexane
CID 159423261
cis-(1S,3R)-1,2,3-trimethylcyclohexane;ethane;methane
CID 142244795
2-methylcyclododecan-1-ol
CID 13130078
ethane;(1R)-2-methylcyclohexan-1-ol
CID 142359109
ethane;trans-(1S,2S)-2-methylcyclohexan-1-ol
CID 143642035
(1S,2R,3R)-2-amino-3-methylcyclohexan-1-ol
CID 90137025
acetic acid;2-methylcyclopentan-1-ol
CID 71356720
1,2,3-trimethylcycloheptane
CID 54005509
ethane;trans-(1R,2R)-1,2-dimethylcyclopentane
CID 91129712
(1S,2S,3R)-3-methyl-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 15188056

Frequently Asked Questions

What is the IUPAC name of (2S)-2,3-dimethylcyclohexan-1-ol?
The IUPAC name of (2S)-2,3-dimethylcyclohexan-1-ol (CID 163715322) is (2S)-2,3-dimethylcyclohexan-1-ol.
What is the SMILES notation for (2S)-2,3-dimethylcyclohexan-1-ol?
The canonical SMILES for (2S)-2,3-dimethylcyclohexan-1-ol is CC1CCCC(O)[C@H]1C.
What is the InChIKey of (2S)-2,3-dimethylcyclohexan-1-ol?
The InChIKey is KMVFQKNNDPKWOX-WTIBDHCWSA-N. The full InChI is InChI=1S/C8H16O/c1-6-4-3-5-8(9)7(6)2/h6-9H,3-5H2,1-2H3/t6?,7-,8?/m0/s1.
What are the key properties of (2S)-2,3-dimethylcyclohexan-1-ol?
(2S)-2,3-dimethylcyclohexan-1-ol has a molecular weight of 128.22 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3-dimethylcyclohexan-1-ol is sourced from PubChem (CID 163715322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).