(2S)-1-(4-methylcyclohexyl)butan-2-ol

C11H22O — CID 67556364

IUPAC(2S)-1-(4-methylcyclohexyl)butan-2-ol
SMILESCC[C@H](O)CC1CCC(C)CC1
InChIInChI=1S/C11H22O/c1-3-11(12)8-10-6-4-9(2)5-7-10/h9-12H,3-8H2,1-2H3/t9?,10?,11-/m0/s1
InChIKeyCTOWMNDRTLDWDD-ILDUYXDCSA-N
MW170.30 g/mol
LogP2.97
Rot. Bonds3

About (2S)-1-(4-methylcyclohexyl)butan-2-ol

(2S)-1-(4-methylcyclohexyl)butan-2-ol (PubChem CID 67556364) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is (2S)-1-(4-methylcyclohexyl)butan-2-ol.

Molecular Properties

Compound Name(2S)-1-(4-methylcyclohexyl)butan-2-ol
PubChem CID67556364
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name(2S)-1-(4-methylcyclohexyl)butan-2-ol
SMILESCC[C@H](O)CC1CCC(C)CC1
InChIInChI=1S/C11H22O/c1-3-11(12)8-10-6-4-9(2)5-7-10/h9-12H,3-8H2,1-2H3/t9?,10?,11-/m0/s1
InChIKeyCTOWMNDRTLDWDD-ILDUYXDCSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

Menthol
CID 1254
(-)-Menthol
CID 16666
3,7-Dimethyl-1-octanol
CID 7792
(+)-Menthol
CID 165675
Isomenthol, (+)-
CID 45056
2-Butyl-1-octanol
CID 19800
(-)-Neomenthol
CID 6566020
(+)-Neomenthol
CID 439263
4-Methylcyclohexanemethanol
CID 118193
2-Methylcyclohexanol
CID 11418
Neoisomenthol
CID 19244
Isomenthol
CID 6432468

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-methylcyclohexyl)butan-2-ol?
The IUPAC name of (2S)-1-(4-methylcyclohexyl)butan-2-ol (CID 67556364) is (2S)-1-(4-methylcyclohexyl)butan-2-ol.
What is the SMILES notation for (2S)-1-(4-methylcyclohexyl)butan-2-ol?
The canonical SMILES for (2S)-1-(4-methylcyclohexyl)butan-2-ol is CC[C@H](O)CC1CCC(C)CC1.
What is the InChIKey of (2S)-1-(4-methylcyclohexyl)butan-2-ol?
The InChIKey is CTOWMNDRTLDWDD-ILDUYXDCSA-N. The full InChI is InChI=1S/C11H22O/c1-3-11(12)8-10-6-4-9(2)5-7-10/h9-12H,3-8H2,1-2H3/t9?,10?,11-/m0/s1.
What are the key properties of (2S)-1-(4-methylcyclohexyl)butan-2-ol?
(2S)-1-(4-methylcyclohexyl)butan-2-ol has a molecular weight of 170.30 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-methylcyclohexyl)butan-2-ol is sourced from PubChem (CID 67556364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).