(1-methylcyclopentyl)cyclohexane

C12H22 — CID 13217819

IUPAC(1-methylcyclopentyl)cyclohexane
SMILESCC1(C2CCCCC2)CCCC1
InChIInChI=1S/C12H22/c1-12(9-5-6-10-12)11-7-3-2-4-8-11/h11H,2-10H2,1H3
InChIKeyYFDLIFYPSOFYDM-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.15
Rot. Bonds1

About (1-methylcyclopentyl)cyclohexane

(1-methylcyclopentyl)cyclohexane (PubChem CID 13217819) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is (1-methylcyclopentyl)cyclohexane.

Molecular Properties

Compound Name(1-methylcyclopentyl)cyclohexane
PubChem CID13217819
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name(1-methylcyclopentyl)cyclohexane
SMILESCC1(C2CCCCC2)CCCC1
InChIInChI=1S/C12H22/c1-12(9-5-6-10-12)11-7-3-2-4-8-11/h11H,2-10H2,1H3
InChIKeyYFDLIFYPSOFYDM-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (1-methylcyclopentyl)cyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene
CID 71361825
6-cycloundecyl-6-methyldiazecane
CID 126582920
(5S)-1-methylbicyclo[3.2.0]heptane
CID 142053045
4-cyclohexyl-4-methyloxane
CID 58667675
3-cyclohexyl-3-methylpiperidine;hydrochloride
CID 69054070
4-(1-methylcyclopentyl)cyclohexan-1-ol
CID 69367175
(2R,4aR)-2,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
CID 169205575
(2R,4aR,8aR)-2-chloro-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
CID 640677
(3-chloro-1-methylcyclopentyl)cycloheptane
CID 116540220
1,1-di(cyclooctyl)cyclooctane
CID 23107007
5-cyclohexyl-5-methyl-1,3-dioxane
CID 70232095
8a-methyl-2,3,4,4a,5,6,7,8-octahydrochromene
CID 58800826

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopentyl)cyclohexane?
The IUPAC name of (1-methylcyclopentyl)cyclohexane (CID 13217819) is (1-methylcyclopentyl)cyclohexane.
What is the SMILES notation for (1-methylcyclopentyl)cyclohexane?
The canonical SMILES for (1-methylcyclopentyl)cyclohexane is CC1(C2CCCCC2)CCCC1.
What is the InChIKey of (1-methylcyclopentyl)cyclohexane?
The InChIKey is YFDLIFYPSOFYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-12(9-5-6-10-12)11-7-3-2-4-8-11/h11H,2-10H2,1H3.
What are the key properties of (1-methylcyclopentyl)cyclohexane?
(1-methylcyclopentyl)cyclohexane has a molecular weight of 166.31 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopentyl)cyclohexane is sourced from PubChem (CID 13217819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).