1-cyclohexyl-2-(1-methylcyclopentyl)benzene

C18H26 — CID 54179575

IUPAC1-cyclohexyl-2-(1-methylcyclopentyl)benzene
SMILESCC1(c2ccccc2C2CCCCC2)CCCC1
InChIInChI=1S/C18H26/c1-18(13-7-8-14-18)17-12-6-5-11-16(17)15-9-3-2-4-10-15/h5-6,11-12,15H,2-4,7-10,13-14H2,1H3
InChIKeyPAVXIKPVXDIBKQ-UHFFFAOYSA-N
MW242.41 g/mol
LogP5.57
Rot. Bonds2

About 1-cyclohexyl-2-(1-methylcyclopentyl)benzene

1-cyclohexyl-2-(1-methylcyclopentyl)benzene (PubChem CID 54179575) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-cyclohexyl-2-(1-methylcyclopentyl)benzene.

Molecular Properties

Compound Name1-cyclohexyl-2-(1-methylcyclopentyl)benzene
PubChem CID54179575
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Name1-cyclohexyl-2-(1-methylcyclopentyl)benzene
SMILESCC1(c2ccccc2C2CCCCC2)CCCC1
InChIInChI=1S/C18H26/c1-18(13-7-8-14-18)17-12-6-5-11-16(17)15-9-3-2-4-10-15/h5-6,11-12,15H,2-4,7-10,13-14H2,1H3
InChIKeyPAVXIKPVXDIBKQ-UHFFFAOYSA-N
XLogP5.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.41
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(1-methylcyclopentyl)benzene?
The IUPAC name of 1-cyclohexyl-2-(1-methylcyclopentyl)benzene (CID 54179575) is 1-cyclohexyl-2-(1-methylcyclopentyl)benzene.
What is the SMILES notation for 1-cyclohexyl-2-(1-methylcyclopentyl)benzene?
The canonical SMILES for 1-cyclohexyl-2-(1-methylcyclopentyl)benzene is CC1(c2ccccc2C2CCCCC2)CCCC1.
What is the InChIKey of 1-cyclohexyl-2-(1-methylcyclopentyl)benzene?
The InChIKey is PAVXIKPVXDIBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26/c1-18(13-7-8-14-18)17-12-6-5-11-16(17)15-9-3-2-4-10-15/h5-6,11-12,15H,2-4,7-10,13-14H2,1H3.
What are the key properties of 1-cyclohexyl-2-(1-methylcyclopentyl)benzene?
1-cyclohexyl-2-(1-methylcyclopentyl)benzene has a molecular weight of 242.41 g/mol, XLogP of 5.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(1-methylcyclopentyl)benzene is sourced from PubChem (CID 54179575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).