(3-butylcyclopent-2-en-1-yl)benzene

C15H20 — CID 13199080

IUPAC(3-butylcyclopent-2-en-1-yl)benzene
SMILESCCCCC1=CC(c2ccccc2)CC1
InChIInChI=1S/C15H20/c1-2-3-7-13-10-11-15(12-13)14-8-5-4-6-9-14/h4-6,8-9,12,15H,2-3,7,10-11H2,1H3
InChIKeyBHGZYLHNJSQVNZ-UHFFFAOYSA-N
MW200.33 g/mol
LogP4.68
Rot. Bonds4

About (3-butylcyclopent-2-en-1-yl)benzene

(3-butylcyclopent-2-en-1-yl)benzene (PubChem CID 13199080) has the molecular formula C15H20 and a molecular weight of 200.33 g/mol. Its IUPAC name is (3-butylcyclopent-2-en-1-yl)benzene.

Molecular Properties

Compound Name(3-butylcyclopent-2-en-1-yl)benzene
PubChem CID13199080
Molecular FormulaC15H20
Molecular Weight200.33 g/mol
Exact Mass200.16
IUPAC Name(3-butylcyclopent-2-en-1-yl)benzene
SMILESCCCCC1=CC(c2ccccc2)CC1
InChIInChI=1S/C15H20/c1-2-3-7-13-10-11-15(12-13)14-8-5-4-6-9-14/h4-6,8-9,12,15H,2-3,7,10-11H2,1H3
InChIKeyBHGZYLHNJSQVNZ-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 54.68
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 (3-butylcyclopent-2-en-1-yl)benzene?
The IUPAC name of (3-butylcyclopent-2-en-1-yl)benzene (CID 13199080) is (3-butylcyclopent-2-en-1-yl)benzene.
What is the SMILES notation for (3-butylcyclopent-2-en-1-yl)benzene?
The canonical SMILES for (3-butylcyclopent-2-en-1-yl)benzene is CCCCC1=CC(c2ccccc2)CC1.
What is the InChIKey of (3-butylcyclopent-2-en-1-yl)benzene?
The InChIKey is BHGZYLHNJSQVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20/c1-2-3-7-13-10-11-15(12-13)14-8-5-4-6-9-14/h4-6,8-9,12,15H,2-3,7,10-11H2,1H3.
What are the key properties of (3-butylcyclopent-2-en-1-yl)benzene?
(3-butylcyclopent-2-en-1-yl)benzene has a molecular weight of 200.33 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butylcyclopent-2-en-1-yl)benzene is sourced from PubChem (CID 13199080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).