1-[(E)-2-chloroethenyl]-4-(4-pent-4-enylcyclohexyl)cyclohexane

C19H31Cl — CID 18656583

IUPAC1-[(E)-2-chloroethenyl]-4-(4-pent-4-enylcyclohexyl)cyclohexane
SMILESC=CCCCC1CCC(C2CCC(/C=C/Cl)CC2)CC1
InChIInChI=1S/C19H31Cl/c1-2-3-4-5-16-6-10-18(11-7-16)19-12-8-17(9-13-19)14-15-20/h2,14-19H,1,3-13H2/b15-14+
InChIKeyXOPSAWFXCMFCQJ-CCEZHUSRSA-N
MW294.91 g/mol
LogP6.71
Rot. Bonds6

About 1-[(E)-2-chloroethenyl]-4-(4-pent-4-enylcyclohexyl)cyclohexane

1-[(E)-2-chloroethenyl]-4-(4-pent-4-enylcyclohexyl)cyclohexane (PubChem CID 18656583) has the molecular formula C19H31Cl and a molecular weight of 294.91 g/mol. Its IUPAC name is 1-[(E)-2-chloroethenyl]-4-(4-pent-4-enylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-[(E)-2-chloroethenyl]-4-(4-pent-4-enylcyclohexyl)cyclohexane
PubChem CID18656583
Molecular FormulaC19H31Cl
Molecular Weight294.91 g/mol
Exact Mass294.21
IUPAC Name1-[(E)-2-chloroethenyl]-4-(4-pent-4-enylcyclohexyl)cyclohexane
SMILESC=CCCCC1CCC(C2CCC(/C=C/Cl)CC2)CC1
InChIInChI=1S/C19H31Cl/c1-2-3-4-5-16-6-10-18(11-7-16)19-12-8-17(9-13-19)14-15-20/h2,14-19H,1,3-13H2/b15-14+
InChIKeyXOPSAWFXCMFCQJ-CCEZHUSRSA-N
XLogP6.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.91
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[(E)-2-chloroethenyl]-4-(4-pent-4-enylcyclohexyl)cyclohexane 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-[(E)-2-chloroethenyl]-4-(4-pent-4-enylcyclohexyl)cyclohexane?
The IUPAC name of 1-[(E)-2-chloroethenyl]-4-(4-pent-4-enylcyclohexyl)cyclohexane (CID 18656583) is 1-[(E)-2-chloroethenyl]-4-(4-pent-4-enylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-[(E)-2-chloroethenyl]-4-(4-pent-4-enylcyclohexyl)cyclohexane?
The canonical SMILES for 1-[(E)-2-chloroethenyl]-4-(4-pent-4-enylcyclohexyl)cyclohexane is C=CCCCC1CCC(C2CCC(/C=C/Cl)CC2)CC1.
What is the InChIKey of 1-[(E)-2-chloroethenyl]-4-(4-pent-4-enylcyclohexyl)cyclohexane?
The InChIKey is XOPSAWFXCMFCQJ-CCEZHUSRSA-N. The full InChI is InChI=1S/C19H31Cl/c1-2-3-4-5-16-6-10-18(11-7-16)19-12-8-17(9-13-19)14-15-20/h2,14-19H,1,3-13H2/b15-14+.
What are the key properties of 1-[(E)-2-chloroethenyl]-4-(4-pent-4-enylcyclohexyl)cyclohexane?
1-[(E)-2-chloroethenyl]-4-(4-pent-4-enylcyclohexyl)cyclohexane has a molecular weight of 294.91 g/mol, XLogP of 6.71, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-chloroethenyl]-4-(4-pent-4-enylcyclohexyl)cyclohexane is sourced from PubChem (CID 18656583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).