methane;(1-methylcyclopentyl)benzene

C13H20 — CID 143499824

IUPACmethane;(1-methylcyclopentyl)benzene
SMILESC.CC1(c2ccccc2)CCCC1
InChIInChI=1S/C12H16.CH4/c1-12(9-5-6-10-12)11-7-3-2-4-8-11;/h2-4,7-8H,5-6,9-10H2,1H3;1H4
InChIKeyXIGUUCBWYNNAHU-UHFFFAOYSA-N
MW176.30 g/mol
LogP4.15
Rot. Bonds1

About methane;(1-methylcyclopentyl)benzene

methane;(1-methylcyclopentyl)benzene (PubChem CID 143499824) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is methane;(1-methylcyclopentyl)benzene.

Molecular Properties

Compound Namemethane;(1-methylcyclopentyl)benzene
PubChem CID143499824
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Namemethane;(1-methylcyclopentyl)benzene
SMILESC.CC1(c2ccccc2)CCCC1
InChIInChI=1S/C12H16.CH4/c1-12(9-5-6-10-12)11-7-3-2-4-8-11;/h2-4,7-8H,5-6,9-10H2,1H3;1H4
InChIKeyXIGUUCBWYNNAHU-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze methane;(1-methylcyclopentyl)benzene 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

isocyanic acid;(1-methylcyclohexyl)benzene
CID 88703439
methanimine;(1-methylcyclopropyl)benzene
CID 163372964
4-methyl-4-phenylazepane
CID 89410025
ethane;4-methyl-4-phenylpiperidine
CID 91476557
(3R)-3-methyl-3-phenylcyclohexan-1-one
CID 11506594
3-methyl-3-phenylpyrrolidine
CID 21098616
(1-methyl-4-phenylcyclohexyl)benzene
CID 164683262
3-methyl-1,3,5-triphenylbicyclo[3.3.1]nonane
CID 142961380
ethane;4-(1-methylcyclopentyl)pyridine
CID 144662823
azane;1-fluoro-4-(1-methylcyclopentyl)benzene
CID 174449315
1-ethyl-4-methyl-4-phenylpiperidine
CID 70451148
1,1-diphenylcyclotetradecane
CID 175822005

Frequently Asked Questions

What is the IUPAC name of methane;(1-methylcyclopentyl)benzene?
The IUPAC name of methane;(1-methylcyclopentyl)benzene (CID 143499824) is methane;(1-methylcyclopentyl)benzene.
What is the SMILES notation for methane;(1-methylcyclopentyl)benzene?
The canonical SMILES for methane;(1-methylcyclopentyl)benzene is C.CC1(c2ccccc2)CCCC1.
What is the InChIKey of methane;(1-methylcyclopentyl)benzene?
The InChIKey is XIGUUCBWYNNAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.CH4/c1-12(9-5-6-10-12)11-7-3-2-4-8-11;/h2-4,7-8H,5-6,9-10H2,1H3;1H4.
What are the key properties of methane;(1-methylcyclopentyl)benzene?
methane;(1-methylcyclopentyl)benzene has a molecular weight of 176.30 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 methane;(1-methylcyclopentyl)benzene is sourced from PubChem (CID 143499824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).