(1,2-dimethylcyclopent-2-en-1-yl)benzene

C13H16 — CID 18943784

IUPAC(1,2-dimethylcyclopent-2-en-1-yl)benzene
SMILESCC1=CCCC1(C)c1ccccc1
InChIInChI=1S/C13H16/c1-11-7-6-10-13(11,2)12-8-4-3-5-9-12/h3-5,7-9H,6,10H2,1-2H3
InChIKeyUBSIROJQZZHWQO-UHFFFAOYSA-N
MW172.27 g/mol
LogP3.68
Rot. Bonds1

About (1,2-dimethylcyclopent-2-en-1-yl)benzene

(1,2-dimethylcyclopent-2-en-1-yl)benzene (PubChem CID 18943784) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is (1,2-dimethylcyclopent-2-en-1-yl)benzene.

Molecular Properties

Compound Name(1,2-dimethylcyclopent-2-en-1-yl)benzene
PubChem CID18943784
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name(1,2-dimethylcyclopent-2-en-1-yl)benzene
SMILESCC1=CCCC1(C)c1ccccc1
InChIInChI=1S/C13H16/c1-11-7-6-10-13(11,2)12-8-4-3-5-9-12/h3-5,7-9H,6,10H2,1-2H3
InChIKeyUBSIROJQZZHWQO-UHFFFAOYSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1,2-dimethylcyclopent-2-en-1-yl)benzene?
The IUPAC name of (1,2-dimethylcyclopent-2-en-1-yl)benzene (CID 18943784) is (1,2-dimethylcyclopent-2-en-1-yl)benzene.
What is the SMILES notation for (1,2-dimethylcyclopent-2-en-1-yl)benzene?
The canonical SMILES for (1,2-dimethylcyclopent-2-en-1-yl)benzene is CC1=CCCC1(C)c1ccccc1.
What is the InChIKey of (1,2-dimethylcyclopent-2-en-1-yl)benzene?
The InChIKey is UBSIROJQZZHWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16/c1-11-7-6-10-13(11,2)12-8-4-3-5-9-12/h3-5,7-9H,6,10H2,1-2H3.
What are the key properties of (1,2-dimethylcyclopent-2-en-1-yl)benzene?
(1,2-dimethylcyclopent-2-en-1-yl)benzene has a molecular weight of 172.27 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethylcyclopent-2-en-1-yl)benzene is sourced from PubChem (CID 18943784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).