1-[(E)-2-chloroethenyl]-4-cyclohexyl-1-[(E)-prop-1-enyl]cyclohexane

C17H27Cl — CID 18656566

IUPAC1-[(E)-2-chloroethenyl]-4-cyclohexyl-1-[(E)-prop-1-enyl]cyclohexane
SMILESC/C=C/C1(/C=C/Cl)CCC(C2CCCCC2)CC1
InChIInChI=1S/C17H27Cl/c1-2-10-17(13-14-18)11-8-16(9-12-17)15-6-4-3-5-7-15/h2,10,13-16H,3-9,11-12H2,1H3/b10-2+,14-13+
InChIKeyFTZTZYSZJJYYMH-VKJHPKDSSA-N
MW266.86 g/mol
LogP6.07
Rot. Bonds3

About 1-[(E)-2-chloroethenyl]-4-cyclohexyl-1-[(E)-prop-1-enyl]cyclohexane

1-[(E)-2-chloroethenyl]-4-cyclohexyl-1-[(E)-prop-1-enyl]cyclohexane (PubChem CID 18656566) has the molecular formula C17H27Cl and a molecular weight of 266.86 g/mol. Its IUPAC name is 1-[(E)-2-chloroethenyl]-4-cyclohexyl-1-[(E)-prop-1-enyl]cyclohexane.

Molecular Properties

Compound Name1-[(E)-2-chloroethenyl]-4-cyclohexyl-1-[(E)-prop-1-enyl]cyclohexane
PubChem CID18656566
Molecular FormulaC17H27Cl
Molecular Weight266.86 g/mol
Exact Mass266.18
IUPAC Name1-[(E)-2-chloroethenyl]-4-cyclohexyl-1-[(E)-prop-1-enyl]cyclohexane
SMILESC/C=C/C1(/C=C/Cl)CCC(C2CCCCC2)CC1
InChIInChI=1S/C17H27Cl/c1-2-10-17(13-14-18)11-8-16(9-12-17)15-6-4-3-5-7-15/h2,10,13-16H,3-9,11-12H2,1H3/b10-2+,14-13+
InChIKeyFTZTZYSZJJYYMH-VKJHPKDSSA-N
XLogP6.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.86
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[(E)-2-chloroethenyl]-4-cyclohexyl-1-[(E)-prop-1-enyl]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-cyclohexyl-1-[(E)-prop-1-enyl]cyclohexane?
The IUPAC name of 1-[(E)-2-chloroethenyl]-4-cyclohexyl-1-[(E)-prop-1-enyl]cyclohexane (CID 18656566) is 1-[(E)-2-chloroethenyl]-4-cyclohexyl-1-[(E)-prop-1-enyl]cyclohexane.
What is the SMILES notation for 1-[(E)-2-chloroethenyl]-4-cyclohexyl-1-[(E)-prop-1-enyl]cyclohexane?
The canonical SMILES for 1-[(E)-2-chloroethenyl]-4-cyclohexyl-1-[(E)-prop-1-enyl]cyclohexane is C/C=C/C1(/C=C/Cl)CCC(C2CCCCC2)CC1.
What is the InChIKey of 1-[(E)-2-chloroethenyl]-4-cyclohexyl-1-[(E)-prop-1-enyl]cyclohexane?
The InChIKey is FTZTZYSZJJYYMH-VKJHPKDSSA-N. The full InChI is InChI=1S/C17H27Cl/c1-2-10-17(13-14-18)11-8-16(9-12-17)15-6-4-3-5-7-15/h2,10,13-16H,3-9,11-12H2,1H3/b10-2+,14-13+.
What are the key properties of 1-[(E)-2-chloroethenyl]-4-cyclohexyl-1-[(E)-prop-1-enyl]cyclohexane?
1-[(E)-2-chloroethenyl]-4-cyclohexyl-1-[(E)-prop-1-enyl]cyclohexane has a molecular weight of 266.86 g/mol, XLogP of 6.07, 3 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-cyclohexyl-1-[(E)-prop-1-enyl]cyclohexane is sourced from PubChem (CID 18656566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).