1-ethenyl-4-[1-(4-methoxycyclohexyl)but-3-enyl]cyclohexane

C19H32O — CID 19070054

IUPAC1-ethenyl-4-[1-(4-methoxycyclohexyl)but-3-enyl]cyclohexane
SMILESC=CCC(C1CCC(C=C)CC1)C1CCC(OC)CC1
InChIInChI=1S/C19H32O/c1-4-6-19(16-9-7-15(5-2)8-10-16)17-11-13-18(20-3)14-12-17/h4-5,15-19H,1-2,6-14H2,3H3
InChIKeyIWXHNLHPBCUXSZ-UHFFFAOYSA-N
MW276.46 g/mol
LogP5.38
Rot. Bonds6

About 1-ethenyl-4-[1-(4-methoxycyclohexyl)but-3-enyl]cyclohexane

1-ethenyl-4-[1-(4-methoxycyclohexyl)but-3-enyl]cyclohexane (PubChem CID 19070054) has the molecular formula C19H32O and a molecular weight of 276.46 g/mol. Its IUPAC name is 1-ethenyl-4-[1-(4-methoxycyclohexyl)but-3-enyl]cyclohexane.

Molecular Properties

Compound Name1-ethenyl-4-[1-(4-methoxycyclohexyl)but-3-enyl]cyclohexane
PubChem CID19070054
Molecular FormulaC19H32O
Molecular Weight276.46 g/mol
Exact Mass276.25
IUPAC Name1-ethenyl-4-[1-(4-methoxycyclohexyl)but-3-enyl]cyclohexane
SMILESC=CCC(C1CCC(C=C)CC1)C1CCC(OC)CC1
InChIInChI=1S/C19H32O/c1-4-6-19(16-9-7-15(5-2)8-10-16)17-11-13-18(20-3)14-12-17/h4-5,15-19H,1-2,6-14H2,3H3
InChIKeyIWXHNLHPBCUXSZ-UHFFFAOYSA-N
XLogP5.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.46
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-ethenyl-4-[1-(4-methoxycyclohexyl)but-3-enyl]cyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-[1-(4-methoxycyclohexyl)but-3-enyl]cyclohexane?
The IUPAC name of 1-ethenyl-4-[1-(4-methoxycyclohexyl)but-3-enyl]cyclohexane (CID 19070054) is 1-ethenyl-4-[1-(4-methoxycyclohexyl)but-3-enyl]cyclohexane.
What is the SMILES notation for 1-ethenyl-4-[1-(4-methoxycyclohexyl)but-3-enyl]cyclohexane?
The canonical SMILES for 1-ethenyl-4-[1-(4-methoxycyclohexyl)but-3-enyl]cyclohexane is C=CCC(C1CCC(C=C)CC1)C1CCC(OC)CC1.
What is the InChIKey of 1-ethenyl-4-[1-(4-methoxycyclohexyl)but-3-enyl]cyclohexane?
The InChIKey is IWXHNLHPBCUXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O/c1-4-6-19(16-9-7-15(5-2)8-10-16)17-11-13-18(20-3)14-12-17/h4-5,15-19H,1-2,6-14H2,3H3.
What are the key properties of 1-ethenyl-4-[1-(4-methoxycyclohexyl)but-3-enyl]cyclohexane?
1-ethenyl-4-[1-(4-methoxycyclohexyl)but-3-enyl]cyclohexane has a molecular weight of 276.46 g/mol, XLogP of 5.38, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-[1-(4-methoxycyclohexyl)but-3-enyl]cyclohexane is sourced from PubChem (CID 19070054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).