(3-methylcyclopentyl)benzene

C12H16 — CID 568942

IUPAC(3-methylcyclopentyl)benzene
SMILESCC1CCC(c2ccccc2)C1
InChIInChI=1S/C12H16/c1-10-7-8-12(9-10)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3
InChIKeySIXFIJSVWPHSPL-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.59
Rot. Bonds1

About (3-methylcyclopentyl)benzene

(3-methylcyclopentyl)benzene (PubChem CID 568942) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is (3-methylcyclopentyl)benzene.

Molecular Properties

Compound Name(3-methylcyclopentyl)benzene
PubChem CID568942
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name(3-methylcyclopentyl)benzene
SMILESCC1CCC(c2ccccc2)C1
InChIInChI=1S/C12H16/c1-10-7-8-12(9-10)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3
InChIKeySIXFIJSVWPHSPL-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (3-methylcyclopentyl)benzene?
The IUPAC name of (3-methylcyclopentyl)benzene (CID 568942) is (3-methylcyclopentyl)benzene.
What is the SMILES notation for (3-methylcyclopentyl)benzene?
The canonical SMILES for (3-methylcyclopentyl)benzene is CC1CCC(c2ccccc2)C1.
What is the InChIKey of (3-methylcyclopentyl)benzene?
The InChIKey is SIXFIJSVWPHSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-10-7-8-12(9-10)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3.
What are the key properties of (3-methylcyclopentyl)benzene?
(3-methylcyclopentyl)benzene has a molecular weight of 160.26 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclopentyl)benzene is sourced from PubChem (CID 568942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).