1-(2-chloroethenyl)-4-(4-methylcyclohexyl)cyclohexane

C15H25Cl — CID 54186609

IUPAC1-(2-chloroethenyl)-4-(4-methylcyclohexyl)cyclohexane
SMILESCC1CCC(C2CCC(C=CCl)CC2)CC1
InChIInChI=1S/C15H25Cl/c1-12-2-6-14(7-3-12)15-8-4-13(5-9-15)10-11-16/h10-15H,2-9H2,1H3
InChIKeyPFNNEKBNGVQOHF-UHFFFAOYSA-N
MW240.82 g/mol
LogP5.37
Rot. Bonds2

About 1-(2-chloroethenyl)-4-(4-methylcyclohexyl)cyclohexane

1-(2-chloroethenyl)-4-(4-methylcyclohexyl)cyclohexane (PubChem CID 54186609) has the molecular formula C15H25Cl and a molecular weight of 240.82 g/mol. Its IUPAC name is 1-(2-chloroethenyl)-4-(4-methylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-(2-chloroethenyl)-4-(4-methylcyclohexyl)cyclohexane
PubChem CID54186609
Molecular FormulaC15H25Cl
Molecular Weight240.82 g/mol
Exact Mass240.16
IUPAC Name1-(2-chloroethenyl)-4-(4-methylcyclohexyl)cyclohexane
SMILESCC1CCC(C2CCC(C=CCl)CC2)CC1
InChIInChI=1S/C15H25Cl/c1-12-2-6-14(7-3-12)15-8-4-13(5-9-15)10-11-16/h10-15H,2-9H2,1H3
InChIKeyPFNNEKBNGVQOHF-UHFFFAOYSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.82
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethenyl)-4-(4-methylcyclohexyl)cyclohexane?
The IUPAC name of 1-(2-chloroethenyl)-4-(4-methylcyclohexyl)cyclohexane (CID 54186609) is 1-(2-chloroethenyl)-4-(4-methylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-(2-chloroethenyl)-4-(4-methylcyclohexyl)cyclohexane?
The canonical SMILES for 1-(2-chloroethenyl)-4-(4-methylcyclohexyl)cyclohexane is CC1CCC(C2CCC(C=CCl)CC2)CC1.
What is the InChIKey of 1-(2-chloroethenyl)-4-(4-methylcyclohexyl)cyclohexane?
The InChIKey is PFNNEKBNGVQOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25Cl/c1-12-2-6-14(7-3-12)15-8-4-13(5-9-15)10-11-16/h10-15H,2-9H2,1H3.
What are the key properties of 1-(2-chloroethenyl)-4-(4-methylcyclohexyl)cyclohexane?
1-(2-chloroethenyl)-4-(4-methylcyclohexyl)cyclohexane has a molecular weight of 240.82 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethenyl)-4-(4-methylcyclohexyl)cyclohexane is sourced from PubChem (CID 54186609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).