1-[(E)-2-chloroethenyl]-4-(4-ethenylcyclohexyl)cyclohexane

C16H25Cl — CID 18656598

IUPAC1-[(E)-2-chloroethenyl]-4-(4-ethenylcyclohexyl)cyclohexane
SMILESC=CC1CCC(C2CCC(/C=C/Cl)CC2)CC1
InChIInChI=1S/C16H25Cl/c1-2-13-3-7-15(8-4-13)16-9-5-14(6-10-16)11-12-17/h2,11-16H,1,3-10H2/b12-11+
InChIKeySCCLCOBSTBDFEL-VAWYXSNFSA-N
MW252.83 g/mol
LogP5.54
Rot. Bonds3

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

1-[(E)-2-chloroethenyl]-4-(4-ethenylcyclohexyl)cyclohexane (PubChem CID 18656598) has the molecular formula C16H25Cl and a molecular weight of 252.83 g/mol. Its IUPAC name is 1-[(E)-2-chloroethenyl]-4-(4-ethenylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-[(E)-2-chloroethenyl]-4-(4-ethenylcyclohexyl)cyclohexane
PubChem CID18656598
Molecular FormulaC16H25Cl
Molecular Weight252.83 g/mol
Exact Mass252.16
IUPAC Name1-[(E)-2-chloroethenyl]-4-(4-ethenylcyclohexyl)cyclohexane
SMILESC=CC1CCC(C2CCC(/C=C/Cl)CC2)CC1
InChIInChI=1S/C16H25Cl/c1-2-13-3-7-15(8-4-13)16-9-5-14(6-10-16)11-12-17/h2,11-16H,1,3-10H2/b12-11+
InChIKeySCCLCOBSTBDFEL-VAWYXSNFSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.83
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-chloroethenyl]-4-(4-ethenylcyclohexyl)cyclohexane?
The IUPAC name of 1-[(E)-2-chloroethenyl]-4-(4-ethenylcyclohexyl)cyclohexane (CID 18656598) is 1-[(E)-2-chloroethenyl]-4-(4-ethenylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-[(E)-2-chloroethenyl]-4-(4-ethenylcyclohexyl)cyclohexane?
The canonical SMILES for 1-[(E)-2-chloroethenyl]-4-(4-ethenylcyclohexyl)cyclohexane is C=CC1CCC(C2CCC(/C=C/Cl)CC2)CC1.
What is the InChIKey of 1-[(E)-2-chloroethenyl]-4-(4-ethenylcyclohexyl)cyclohexane?
The InChIKey is SCCLCOBSTBDFEL-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H25Cl/c1-2-13-3-7-15(8-4-13)16-9-5-14(6-10-16)11-12-17/h2,11-16H,1,3-10H2/b12-11+.
What are the key properties of 1-[(E)-2-chloroethenyl]-4-(4-ethenylcyclohexyl)cyclohexane?
1-[(E)-2-chloroethenyl]-4-(4-ethenylcyclohexyl)cyclohexane has a molecular weight of 252.83 g/mol, XLogP of 5.54, 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-(4-ethenylcyclohexyl)cyclohexane is sourced from PubChem (CID 18656598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).