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

C23H38O — CID 76828534

IUPAC2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethenyl]-5-propyloxolane
SMILESC=CC1CCC(C2CCC(C=CC3CCC(CCC)O3)CC2)CC1
InChIInChI=1S/C23H38O/c1-3-5-22-16-17-23(24-22)15-10-19-8-13-21(14-9-19)20-11-6-18(4-2)7-12-20/h4,10,15,18-23H,2-3,5-9,11-14,16-17H2,1H3
InChIKeyRCIOHSURHKRACT-UHFFFAOYSA-N
MW330.56 g/mol
LogP6.69
Rot. Bonds6

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

2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethenyl]-5-propyloxolane (PubChem CID 76828534) has the molecular formula C23H38O and a molecular weight of 330.56 g/mol. Its IUPAC name is 2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethenyl]-5-propyloxolane.

Molecular Properties

Compound Name2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethenyl]-5-propyloxolane
PubChem CID76828534
Molecular FormulaC23H38O
Molecular Weight330.56 g/mol
Exact Mass330.29
IUPAC Name2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethenyl]-5-propyloxolane
SMILESC=CC1CCC(C2CCC(C=CC3CCC(CCC)O3)CC2)CC1
InChIInChI=1S/C23H38O/c1-3-5-22-16-17-23(24-22)15-10-19-8-13-21(14-9-19)20-11-6-18(4-2)7-12-20/h4,10,15,18-23H,2-3,5-9,11-14,16-17H2,1H3
InChIKeyRCIOHSURHKRACT-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethenyl]-5-propyloxolane?
The IUPAC name of 2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethenyl]-5-propyloxolane (CID 76828534) is 2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethenyl]-5-propyloxolane.
What is the SMILES notation for 2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethenyl]-5-propyloxolane?
The canonical SMILES for 2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethenyl]-5-propyloxolane is C=CC1CCC(C2CCC(C=CC3CCC(CCC)O3)CC2)CC1.
What is the InChIKey of 2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethenyl]-5-propyloxolane?
The InChIKey is RCIOHSURHKRACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38O/c1-3-5-22-16-17-23(24-22)15-10-19-8-13-21(14-9-19)20-11-6-18(4-2)7-12-20/h4,10,15,18-23H,2-3,5-9,11-14,16-17H2,1H3.
What are the key properties of 2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethenyl]-5-propyloxolane?
2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethenyl]-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-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethenyl]-5-propyloxolane is sourced from PubChem (CID 76828534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).