(3S,4S)-3-butyl-4-ethenylcyclopentene

C11H18 — CID 11051844

IUPAC(3S,4S)-3-butyl-4-ethenylcyclopentene
SMILESC=C[C@@H]1CC=C[C@@H]1CCCC
InChIInChI=1S/C11H18/c1-3-5-7-11-9-6-8-10(11)4-2/h4,6,9-11H,2-3,5,7-8H2,1H3/t10-,11+/m1/s1
InChIKeyIVYGSBCZNNWNCE-MNOVXSKESA-N
MW150.26 g/mol
LogP3.55
Rot. Bonds4

About (3S,4S)-3-butyl-4-ethenylcyclopentene

(3S,4S)-3-butyl-4-ethenylcyclopentene (PubChem CID 11051844) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is (3S,4S)-3-butyl-4-ethenylcyclopentene.

Molecular Properties

Compound Name(3S,4S)-3-butyl-4-ethenylcyclopentene
PubChem CID11051844
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name(3S,4S)-3-butyl-4-ethenylcyclopentene
SMILESC=C[C@@H]1CC=C[C@@H]1CCCC
InChIInChI=1S/C11H18/c1-3-5-7-11-9-6-8-10(11)4-2/h4,6,9-11H,2-3,5,7-8H2,1H3/t10-,11+/m1/s1
InChIKeyIVYGSBCZNNWNCE-MNOVXSKESA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3S,4S)-3-butyl-4-ethenylcyclopentene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-butyl-4-ethenylcyclopentene?
The IUPAC name of (3S,4S)-3-butyl-4-ethenylcyclopentene (CID 11051844) is (3S,4S)-3-butyl-4-ethenylcyclopentene.
What is the SMILES notation for (3S,4S)-3-butyl-4-ethenylcyclopentene?
The canonical SMILES for (3S,4S)-3-butyl-4-ethenylcyclopentene is C=C[C@@H]1CC=C[C@@H]1CCCC.
What is the InChIKey of (3S,4S)-3-butyl-4-ethenylcyclopentene?
The InChIKey is IVYGSBCZNNWNCE-MNOVXSKESA-N. The full InChI is InChI=1S/C11H18/c1-3-5-7-11-9-6-8-10(11)4-2/h4,6,9-11H,2-3,5,7-8H2,1H3/t10-,11+/m1/s1.
What are the key properties of (3S,4S)-3-butyl-4-ethenylcyclopentene?
(3S,4S)-3-butyl-4-ethenylcyclopentene has a molecular weight of 150.26 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-butyl-4-ethenylcyclopentene is sourced from PubChem (CID 11051844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).