[4-(2-methylpentyl)cyclohexyl]methanol

C13H26O — CID 129166925

IUPAC[4-(2-methylpentyl)cyclohexyl]methanol
SMILESCCCC(C)CC1CCC(CO)CC1
InChIInChI=1S/C13H26O/c1-3-4-11(2)9-12-5-7-13(10-14)8-6-12/h11-14H,3-10H2,1-2H3
InChIKeyCPYMLUPKFNPIDV-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.61
Rot. Bonds5

About [4-(2-methylpentyl)cyclohexyl]methanol

[4-(2-methylpentyl)cyclohexyl]methanol (PubChem CID 129166925) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is [4-(2-methylpentyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-(2-methylpentyl)cyclohexyl]methanol
PubChem CID129166925
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name[4-(2-methylpentyl)cyclohexyl]methanol
SMILESCCCC(C)CC1CCC(CO)CC1
InChIInChI=1S/C13H26O/c1-3-4-11(2)9-12-5-7-13(10-14)8-6-12/h11-14H,3-10H2,1-2H3
InChIKeyCPYMLUPKFNPIDV-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.61
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
1,4-Cyclohexanedimethanol
CID 7735
2-Butyl-1-octanol
CID 19800
Isomenthol, (+)-
CID 45056
(+)-Neomenthol
CID 439263
3,7-Dimethyl-1,7-octanediol
CID 249494
p-MENTHAN-8-OL
CID 10353
4-Methylcyclohexanemethanol
CID 118193
2-Octyldodecanol
CID 21414

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpentyl)cyclohexyl]methanol?
The IUPAC name of [4-(2-methylpentyl)cyclohexyl]methanol (CID 129166925) is [4-(2-methylpentyl)cyclohexyl]methanol.
What is the SMILES notation for [4-(2-methylpentyl)cyclohexyl]methanol?
The canonical SMILES for [4-(2-methylpentyl)cyclohexyl]methanol is CCCC(C)CC1CCC(CO)CC1.
What is the InChIKey of [4-(2-methylpentyl)cyclohexyl]methanol?
The InChIKey is CPYMLUPKFNPIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-3-4-11(2)9-12-5-7-13(10-14)8-6-12/h11-14H,3-10H2,1-2H3.
What are the key properties of [4-(2-methylpentyl)cyclohexyl]methanol?
[4-(2-methylpentyl)cyclohexyl]methanol has a molecular weight of 198.35 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpentyl)cyclohexyl]methanol is sourced from PubChem (CID 129166925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).