1-[(E)-2-chloroethenyl]-1-cyclohexylcyclohexane

C14H23Cl — CID 23186292

IUPAC1-[(E)-2-chloroethenyl]-1-cyclohexylcyclohexane
SMILESCl/C=C/C1(C2CCCCC2)CCCCC1
InChIInChI=1S/C14H23Cl/c15-12-11-14(9-5-2-6-10-14)13-7-3-1-4-8-13/h11-13H,1-10H2/b12-11+
InChIKeyLHMZPNDBFJJQCJ-VAWYXSNFSA-N
MW226.79 g/mol
LogP5.27
Rot. Bonds2

About 1-[(E)-2-chloroethenyl]-1-cyclohexylcyclohexane

1-[(E)-2-chloroethenyl]-1-cyclohexylcyclohexane (PubChem CID 23186292) has the molecular formula C14H23Cl and a molecular weight of 226.79 g/mol. Its IUPAC name is 1-[(E)-2-chloroethenyl]-1-cyclohexylcyclohexane.

Molecular Properties

Compound Name1-[(E)-2-chloroethenyl]-1-cyclohexylcyclohexane
PubChem CID23186292
Molecular FormulaC14H23Cl
Molecular Weight226.79 g/mol
Exact Mass226.15
IUPAC Name1-[(E)-2-chloroethenyl]-1-cyclohexylcyclohexane
SMILESCl/C=C/C1(C2CCCCC2)CCCCC1
InChIInChI=1S/C14H23Cl/c15-12-11-14(9-5-2-6-10-14)13-7-3-1-4-8-13/h11-13H,1-10H2/b12-11+
InChIKeyLHMZPNDBFJJQCJ-VAWYXSNFSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.79
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-chloroethenyl]-1-cyclohexylcyclohexane?
The IUPAC name of 1-[(E)-2-chloroethenyl]-1-cyclohexylcyclohexane (CID 23186292) is 1-[(E)-2-chloroethenyl]-1-cyclohexylcyclohexane.
What is the SMILES notation for 1-[(E)-2-chloroethenyl]-1-cyclohexylcyclohexane?
The canonical SMILES for 1-[(E)-2-chloroethenyl]-1-cyclohexylcyclohexane is Cl/C=C/C1(C2CCCCC2)CCCCC1.
What is the InChIKey of 1-[(E)-2-chloroethenyl]-1-cyclohexylcyclohexane?
The InChIKey is LHMZPNDBFJJQCJ-VAWYXSNFSA-N. The full InChI is InChI=1S/C14H23Cl/c15-12-11-14(9-5-2-6-10-14)13-7-3-1-4-8-13/h11-13H,1-10H2/b12-11+.
What are the key properties of 1-[(E)-2-chloroethenyl]-1-cyclohexylcyclohexane?
1-[(E)-2-chloroethenyl]-1-cyclohexylcyclohexane has a molecular weight of 226.79 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-chloroethenyl]-1-cyclohexylcyclohexane is sourced from PubChem (CID 23186292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).