[(1S)-3-methylcyclohexyl]methanol

C8H16O — CID 89207619

IUPAC[(1S)-3-methylcyclohexyl]methanol
SMILESCC1CCC[C@H](CO)C1
InChIInChI=1S/C8H16O/c1-7-3-2-4-8(5-7)6-9/h7-9H,2-6H2,1H3/t7?,8-/m0/s1
InChIKeyKGSNUSZZYWSOFK-MQWKRIRWSA-N
MW128.22 g/mol
LogP1.80
Rot. Bonds1

About [(1S)-3-methylcyclohexyl]methanol

[(1S)-3-methylcyclohexyl]methanol (PubChem CID 89207619) has the molecular formula C8H16O and a molecular weight of 128.22 g/mol. Its IUPAC name is [(1S)-3-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[(1S)-3-methylcyclohexyl]methanol
PubChem CID89207619
Molecular FormulaC8H16O
Molecular Weight128.22 g/mol
Exact Mass128.12
IUPAC Name[(1S)-3-methylcyclohexyl]methanol
SMILESCC1CCC[C@H](CO)C1
InChIInChI=1S/C8H16O/c1-7-3-2-4-8(5-7)6-9/h7-9H,2-6H2,1H3/t7?,8-/m0/s1
InChIKeyKGSNUSZZYWSOFK-MQWKRIRWSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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

1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane
CID 19860313
ethane;1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane
CID 171814310
trans-(1S,3S)-1-ethyl-3-methylcyclohexane
CID 23620235
[(1S,3R)-3-ethylcyclohexyl]methanol
CID 14940078
(3-methylcyclohexyl)methanamine
CID 18361468
2-methyl-3-(3-methylcyclohexyl)propan-1-ol
CID 57429420
(1S)-1-methyl-3-(2-methylpropyl)cyclohexane
CID 140722932
cis-(1S,3R)-1-(2,2-dimethylpropyl)-3-methylcyclohexane
CID 158565558
cis-(1R,3S)-1-methyl-3-propylcyclohexane
CID 154071124
1-[(3R)-3-methylcyclohexyl]propan-2-one
CID 130348727
cyclobutylmethanol;ethanol
CID 68532840
4-[(3-methylcyclohexyl)methylamino]butan-1-ol
CID 106840660

Frequently Asked Questions

What is the IUPAC name of [(1S)-3-methylcyclohexyl]methanol?
The IUPAC name of [(1S)-3-methylcyclohexyl]methanol (CID 89207619) is [(1S)-3-methylcyclohexyl]methanol.
What is the SMILES notation for [(1S)-3-methylcyclohexyl]methanol?
The canonical SMILES for [(1S)-3-methylcyclohexyl]methanol is CC1CCC[C@H](CO)C1.
What is the InChIKey of [(1S)-3-methylcyclohexyl]methanol?
The InChIKey is KGSNUSZZYWSOFK-MQWKRIRWSA-N. The full InChI is InChI=1S/C8H16O/c1-7-3-2-4-8(5-7)6-9/h7-9H,2-6H2,1H3/t7?,8-/m0/s1.
What are the key properties of [(1S)-3-methylcyclohexyl]methanol?
[(1S)-3-methylcyclohexyl]methanol has a molecular weight of 128.22 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-3-methylcyclohexyl]methanol is sourced from PubChem (CID 89207619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).