1-prop-2-enyl-4-(4-prop-2-enylcyclohexen-1-yl)benzene

C18H22 — CID 173491346

IUPAC1-prop-2-enyl-4-(4-prop-2-enylcyclohexen-1-yl)benzene
SMILESC=CCc1ccc(C2=CCC(CC=C)CC2)cc1
InChIInChI=1S/C18H22/c1-3-5-15-7-11-17(12-8-15)18-13-9-16(6-4-2)10-14-18/h3-4,7-8,11-13,16H,1-2,5-6,9-10,14H2
InChIKeyCKNASHOAKKSZJX-UHFFFAOYSA-N
MW238.37 g/mol
LogP5.17
Rot. Bonds5

About 1-prop-2-enyl-4-(4-prop-2-enylcyclohexen-1-yl)benzene

1-prop-2-enyl-4-(4-prop-2-enylcyclohexen-1-yl)benzene (PubChem CID 173491346) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-prop-2-enyl-4-(4-prop-2-enylcyclohexen-1-yl)benzene.

Molecular Properties

Compound Name1-prop-2-enyl-4-(4-prop-2-enylcyclohexen-1-yl)benzene
PubChem CID173491346
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name1-prop-2-enyl-4-(4-prop-2-enylcyclohexen-1-yl)benzene
SMILESC=CCc1ccc(C2=CCC(CC=C)CC2)cc1
InChIInChI=1S/C18H22/c1-3-5-15-7-11-17(12-8-15)18-13-9-16(6-4-2)10-14-18/h3-4,7-8,11-13,16H,1-2,5-6,9-10,14H2
InChIKeyCKNASHOAKKSZJX-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.37
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-prop-2-enyl-4-(4-prop-2-enylcyclohexen-1-yl)benzene 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 1-prop-2-enyl-4-(4-prop-2-enylcyclohexen-1-yl)benzene?
The IUPAC name of 1-prop-2-enyl-4-(4-prop-2-enylcyclohexen-1-yl)benzene (CID 173491346) is 1-prop-2-enyl-4-(4-prop-2-enylcyclohexen-1-yl)benzene.
What is the SMILES notation for 1-prop-2-enyl-4-(4-prop-2-enylcyclohexen-1-yl)benzene?
The canonical SMILES for 1-prop-2-enyl-4-(4-prop-2-enylcyclohexen-1-yl)benzene is C=CCc1ccc(C2=CCC(CC=C)CC2)cc1.
What is the InChIKey of 1-prop-2-enyl-4-(4-prop-2-enylcyclohexen-1-yl)benzene?
The InChIKey is CKNASHOAKKSZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22/c1-3-5-15-7-11-17(12-8-15)18-13-9-16(6-4-2)10-14-18/h3-4,7-8,11-13,16H,1-2,5-6,9-10,14H2.
What are the key properties of 1-prop-2-enyl-4-(4-prop-2-enylcyclohexen-1-yl)benzene?
1-prop-2-enyl-4-(4-prop-2-enylcyclohexen-1-yl)benzene has a molecular weight of 238.37 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-4-(4-prop-2-enylcyclohexen-1-yl)benzene is sourced from PubChem (CID 173491346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).