2-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]-5-propyloxolane

C23H38O — CID 58555852

IUPAC2-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]-5-propyloxolane
SMILESC=CC1CCC(/C=C/C2CCC(C3CCC(CCC)O3)CC2)CC1
InChIInChI=1S/C23H38O/c1-3-5-22-16-17-23(24-22)21-14-12-20(13-15-21)11-10-19-8-6-18(4-2)7-9-19/h4,10-11,18-23H,2-3,5-9,12-17H2,1H3/b11-10+
InChIKeyGPMHNCHGAKAJDM-ZHACJKMWSA-N
MW330.56 g/mol
LogP6.69
Rot. Bonds6

About 2-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]-5-propyloxolane

2-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]-5-propyloxolane (PubChem CID 58555852) has the molecular formula C23H38O and a molecular weight of 330.56 g/mol. Its IUPAC name is 2-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]-5-propyloxolane.

Molecular Properties

Compound Name2-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]-5-propyloxolane
PubChem CID58555852
Molecular FormulaC23H38O
Molecular Weight330.56 g/mol
Exact Mass330.29
IUPAC Name2-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]-5-propyloxolane
SMILESC=CC1CCC(/C=C/C2CCC(C3CCC(CCC)O3)CC2)CC1
InChIInChI=1S/C23H38O/c1-3-5-22-16-17-23(24-22)21-14-12-20(13-15-21)11-10-19-8-6-18(4-2)7-9-19/h4,10-11,18-23H,2-3,5-9,12-17H2,1H3/b11-10+
InChIKeyGPMHNCHGAKAJDM-ZHACJKMWSA-N
XLogP6.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.56
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]-5-propyloxolane 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 2-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]-5-propyloxolane?
The IUPAC name of 2-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]-5-propyloxolane (CID 58555852) is 2-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]-5-propyloxolane.
What is the SMILES notation for 2-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]-5-propyloxolane?
The canonical SMILES for 2-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]-5-propyloxolane is C=CC1CCC(/C=C/C2CCC(C3CCC(CCC)O3)CC2)CC1.
What is the InChIKey of 2-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]-5-propyloxolane?
The InChIKey is GPMHNCHGAKAJDM-ZHACJKMWSA-N. The full InChI is InChI=1S/C23H38O/c1-3-5-22-16-17-23(24-22)21-14-12-20(13-15-21)11-10-19-8-6-18(4-2)7-9-19/h4,10-11,18-23H,2-3,5-9,12-17H2,1H3/b11-10+.
What are the key properties of 2-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]-5-propyloxolane?
2-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]-5-propyloxolane has a molecular weight of 330.56 g/mol, XLogP of 6.69, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]-5-propyloxolane is sourced from PubChem (CID 58555852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).