1-butyl-4-(4-ethenylcyclohexyl)cyclohexane

C18H32 — CID 19702460

IUPAC1-butyl-4-(4-ethenylcyclohexyl)cyclohexane
SMILESC=CC1CCC(C2CCC(CCCC)CC2)CC1
InChIInChI=1S/C18H32/c1-3-5-6-16-9-13-18(14-10-16)17-11-7-15(4-2)8-12-17/h4,15-18H,2-3,5-14H2,1H3
InChIKeyHNJLLLQZSIESBM-UHFFFAOYSA-N
MW248.45 g/mol
LogP5.98
Rot. Bonds5

About 1-butyl-4-(4-ethenylcyclohexyl)cyclohexane

1-butyl-4-(4-ethenylcyclohexyl)cyclohexane (PubChem CID 19702460) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is 1-butyl-4-(4-ethenylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-butyl-4-(4-ethenylcyclohexyl)cyclohexane
PubChem CID19702460
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Name1-butyl-4-(4-ethenylcyclohexyl)cyclohexane
SMILESC=CC1CCC(C2CCC(CCCC)CC2)CC1
InChIInChI=1S/C18H32/c1-3-5-6-16-9-13-18(14-10-16)17-11-7-15(4-2)8-12-17/h4,15-18H,2-3,5-14H2,1H3
InChIKeyHNJLLLQZSIESBM-UHFFFAOYSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 55.98
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-butyl-4-(4-ethenylcyclohexyl)cyclohexane?
The IUPAC name of 1-butyl-4-(4-ethenylcyclohexyl)cyclohexane (CID 19702460) is 1-butyl-4-(4-ethenylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-butyl-4-(4-ethenylcyclohexyl)cyclohexane?
The canonical SMILES for 1-butyl-4-(4-ethenylcyclohexyl)cyclohexane is C=CC1CCC(C2CCC(CCCC)CC2)CC1.
What is the InChIKey of 1-butyl-4-(4-ethenylcyclohexyl)cyclohexane?
The InChIKey is HNJLLLQZSIESBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32/c1-3-5-6-16-9-13-18(14-10-16)17-11-7-15(4-2)8-12-17/h4,15-18H,2-3,5-14H2,1H3.
What are the key properties of 1-butyl-4-(4-ethenylcyclohexyl)cyclohexane?
1-butyl-4-(4-ethenylcyclohexyl)cyclohexane has a molecular weight of 248.45 g/mol, XLogP of 5.98, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(4-ethenylcyclohexyl)cyclohexane is sourced from PubChem (CID 19702460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).