4-but-2-enyl-1-prop-1-en-2-ylcyclohexene

C13H20 — CID 57127473

IUPAC4-but-2-enyl-1-prop-1-en-2-ylcyclohexene
SMILESC=C(C)C1=CCC(CC=CC)CC1
InChIInChI=1S/C13H20/c1-4-5-6-12-7-9-13(10-8-12)11(2)3/h4-5,9,12H,2,6-8,10H2,1,3H3
InChIKeyCTCNPDIBAMKFBP-UHFFFAOYSA-N
MW176.30 g/mol
LogP4.26
Rot. Bonds3

About 4-but-2-enyl-1-prop-1-en-2-ylcyclohexene

4-but-2-enyl-1-prop-1-en-2-ylcyclohexene (PubChem CID 57127473) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 4-but-2-enyl-1-prop-1-en-2-ylcyclohexene.

Molecular Properties

Compound Name4-but-2-enyl-1-prop-1-en-2-ylcyclohexene
PubChem CID57127473
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name4-but-2-enyl-1-prop-1-en-2-ylcyclohexene
SMILESC=C(C)C1=CCC(CC=CC)CC1
InChIInChI=1S/C13H20/c1-4-5-6-12-7-9-13(10-8-12)11(2)3/h4-5,9,12H,2,6-8,10H2,1,3H3
InChIKeyCTCNPDIBAMKFBP-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-but-2-enyl-1-prop-1-en-2-ylcyclohexene 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 4-but-2-enyl-1-prop-1-en-2-ylcyclohexene?
The IUPAC name of 4-but-2-enyl-1-prop-1-en-2-ylcyclohexene (CID 57127473) is 4-but-2-enyl-1-prop-1-en-2-ylcyclohexene.
What is the SMILES notation for 4-but-2-enyl-1-prop-1-en-2-ylcyclohexene?
The canonical SMILES for 4-but-2-enyl-1-prop-1-en-2-ylcyclohexene is C=C(C)C1=CCC(CC=CC)CC1.
What is the InChIKey of 4-but-2-enyl-1-prop-1-en-2-ylcyclohexene?
The InChIKey is CTCNPDIBAMKFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-4-5-6-12-7-9-13(10-8-12)11(2)3/h4-5,9,12H,2,6-8,10H2,1,3H3.
What are the key properties of 4-but-2-enyl-1-prop-1-en-2-ylcyclohexene?
4-but-2-enyl-1-prop-1-en-2-ylcyclohexene has a molecular weight of 176.30 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-2-enyl-1-prop-1-en-2-ylcyclohexene is sourced from PubChem (CID 57127473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).