2-cyclopentyl-1,4-dimethylbenzene

C13H18 — CID 594544

IUPAC2-cyclopentyl-1,4-dimethylbenzene
SMILESCc1ccc(C)c(C2CCCC2)c1
InChIInChI=1S/C13H18/c1-10-7-8-11(2)13(9-10)12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3
InChIKeyYSVADLJGCIUWQF-UHFFFAOYSA-N
MW174.29 g/mol
LogP3.96
Rot. Bonds1

About 2-cyclopentyl-1,4-dimethylbenzene

2-cyclopentyl-1,4-dimethylbenzene (PubChem CID 594544) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 2-cyclopentyl-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-cyclopentyl-1,4-dimethylbenzene
PubChem CID594544
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name2-cyclopentyl-1,4-dimethylbenzene
SMILESCc1ccc(C)c(C2CCCC2)c1
InChIInChI=1S/C13H18/c1-10-7-8-11(2)13(9-10)12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3
InChIKeyYSVADLJGCIUWQF-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1,4-dimethylbenzene?
The IUPAC name of 2-cyclopentyl-1,4-dimethylbenzene (CID 594544) is 2-cyclopentyl-1,4-dimethylbenzene.
What is the SMILES notation for 2-cyclopentyl-1,4-dimethylbenzene?
The canonical SMILES for 2-cyclopentyl-1,4-dimethylbenzene is Cc1ccc(C)c(C2CCCC2)c1.
What is the InChIKey of 2-cyclopentyl-1,4-dimethylbenzene?
The InChIKey is YSVADLJGCIUWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-10-7-8-11(2)13(9-10)12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3.
What are the key properties of 2-cyclopentyl-1,4-dimethylbenzene?
2-cyclopentyl-1,4-dimethylbenzene has a molecular weight of 174.29 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1,4-dimethylbenzene is sourced from PubChem (CID 594544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).