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

C17H29Cl — CID 18656595

IUPAC1-[(E)-2-chloroethenyl]-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCC(/C=C/Cl)CC2)CC1
InChIInChI=1S/C17H29Cl/c1-2-3-14-4-8-16(9-5-14)17-10-6-15(7-11-17)12-13-18/h12-17H,2-11H2,1H3/b13-12+
InChIKeyIVBLRXQXIFCZKU-OUKQBFOZSA-N
MW268.87 g/mol
LogP6.15
Rot. Bonds4

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

1-[(E)-2-chloroethenyl]-4-(4-propylcyclohexyl)cyclohexane (PubChem CID 18656595) has the molecular formula C17H29Cl and a molecular weight of 268.87 g/mol. Its IUPAC name is 1-[(E)-2-chloroethenyl]-4-(4-propylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-[(E)-2-chloroethenyl]-4-(4-propylcyclohexyl)cyclohexane
PubChem CID18656595
Molecular FormulaC17H29Cl
Molecular Weight268.87 g/mol
Exact Mass268.20
IUPAC Name1-[(E)-2-chloroethenyl]-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCC(/C=C/Cl)CC2)CC1
InChIInChI=1S/C17H29Cl/c1-2-3-14-4-8-16(9-5-14)17-10-6-15(7-11-17)12-13-18/h12-17H,2-11H2,1H3/b13-12+
InChIKeyIVBLRXQXIFCZKU-OUKQBFOZSA-N
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.87
LogP ≤ 56.15
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]-4-(4-propylcyclohexyl)cyclohexane?
The IUPAC name of 1-[(E)-2-chloroethenyl]-4-(4-propylcyclohexyl)cyclohexane (CID 18656595) is 1-[(E)-2-chloroethenyl]-4-(4-propylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-[(E)-2-chloroethenyl]-4-(4-propylcyclohexyl)cyclohexane?
The canonical SMILES for 1-[(E)-2-chloroethenyl]-4-(4-propylcyclohexyl)cyclohexane is CCCC1CCC(C2CCC(/C=C/Cl)CC2)CC1.
What is the InChIKey of 1-[(E)-2-chloroethenyl]-4-(4-propylcyclohexyl)cyclohexane?
The InChIKey is IVBLRXQXIFCZKU-OUKQBFOZSA-N. The full InChI is InChI=1S/C17H29Cl/c1-2-3-14-4-8-16(9-5-14)17-10-6-15(7-11-17)12-13-18/h12-17H,2-11H2,1H3/b13-12+.
What are the key properties of 1-[(E)-2-chloroethenyl]-4-(4-propylcyclohexyl)cyclohexane?
1-[(E)-2-chloroethenyl]-4-(4-propylcyclohexyl)cyclohexane has a molecular weight of 268.87 g/mol, XLogP of 6.15, 4 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-propylcyclohexyl)cyclohexane is sourced from PubChem (CID 18656595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).