1-but-3-enoxy-4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexane

C23H40O — CID 19834851

IUPAC1-but-3-enoxy-4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexane
SMILESC=CCCOC1CCC(CCC2CCC(/C=C/CCC)CC2)CC1
InChIInChI=1S/C23H40O/c1-3-5-7-8-20-9-11-21(12-10-20)13-14-22-15-17-23(18-16-22)24-19-6-4-2/h4,7-8,20-23H,2-3,5-6,9-19H2,1H3/b8-7+
InChIKeySOEZHMJAOZPARZ-BQYQJAHWSA-N
MW332.57 g/mol
LogP7.08
Rot. Bonds10

About 1-but-3-enoxy-4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexane

1-but-3-enoxy-4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexane (PubChem CID 19834851) has the molecular formula C23H40O and a molecular weight of 332.57 g/mol. Its IUPAC name is 1-but-3-enoxy-4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexane.

Molecular Properties

Compound Name1-but-3-enoxy-4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexane
PubChem CID19834851
Molecular FormulaC23H40O
Molecular Weight332.57 g/mol
Exact Mass332.31
IUPAC Name1-but-3-enoxy-4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexane
SMILESC=CCCOC1CCC(CCC2CCC(/C=C/CCC)CC2)CC1
InChIInChI=1S/C23H40O/c1-3-5-7-8-20-9-11-21(12-10-20)13-14-22-15-17-23(18-16-22)24-19-6-4-2/h4,7-8,20-23H,2-3,5-6,9-19H2,1H3/b8-7+
InChIKeySOEZHMJAOZPARZ-BQYQJAHWSA-N
XLogP7.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.57
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-but-3-enoxy-4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexane?
The IUPAC name of 1-but-3-enoxy-4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexane (CID 19834851) is 1-but-3-enoxy-4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexane.
What is the SMILES notation for 1-but-3-enoxy-4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexane?
The canonical SMILES for 1-but-3-enoxy-4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexane is C=CCCOC1CCC(CCC2CCC(/C=C/CCC)CC2)CC1.
What is the InChIKey of 1-but-3-enoxy-4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexane?
The InChIKey is SOEZHMJAOZPARZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C23H40O/c1-3-5-7-8-20-9-11-21(12-10-20)13-14-22-15-17-23(18-16-22)24-19-6-4-2/h4,7-8,20-23H,2-3,5-6,9-19H2,1H3/b8-7+.
What are the key properties of 1-but-3-enoxy-4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexane?
1-but-3-enoxy-4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexane has a molecular weight of 332.57 g/mol, XLogP of 7.08, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enoxy-4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexane is sourced from PubChem (CID 19834851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).