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

C24H42O — CID 19834837

IUPAC1-but-3-enyl-4-[2-[4-[(E)-hex-1-enoxy]cyclohexyl]ethyl]cyclohexane
SMILESC=CCCC1CCC(CCC2CCC(O/C=C/CCCC)CC2)CC1
InChIInChI=1S/C24H42O/c1-3-5-7-8-20-25-24-18-16-23(17-19-24)15-14-22-12-10-21(11-13-22)9-6-4-2/h4,8,20-24H,2-3,5-7,9-19H2,1H3/b20-8+
InChIKeyQULVKZGEFVRJTP-DNTJNYDQSA-N
MW346.60 g/mol
LogP7.82
Rot. Bonds11

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

1-but-3-enyl-4-[2-[4-[(E)-hex-1-enoxy]cyclohexyl]ethyl]cyclohexane (PubChem CID 19834837) has the molecular formula C24H42O and a molecular weight of 346.60 g/mol. Its IUPAC name is 1-but-3-enyl-4-[2-[4-[(E)-hex-1-enoxy]cyclohexyl]ethyl]cyclohexane.

Molecular Properties

Compound Name1-but-3-enyl-4-[2-[4-[(E)-hex-1-enoxy]cyclohexyl]ethyl]cyclohexane
PubChem CID19834837
Molecular FormulaC24H42O
Molecular Weight346.60 g/mol
Exact Mass346.32
IUPAC Name1-but-3-enyl-4-[2-[4-[(E)-hex-1-enoxy]cyclohexyl]ethyl]cyclohexane
SMILESC=CCCC1CCC(CCC2CCC(O/C=C/CCCC)CC2)CC1
InChIInChI=1S/C24H42O/c1-3-5-7-8-20-25-24-18-16-23(17-19-24)15-14-22-12-10-21(11-13-22)9-6-4-2/h4,8,20-24H,2-3,5-7,9-19H2,1H3/b20-8+
InChIKeyQULVKZGEFVRJTP-DNTJNYDQSA-N
XLogP7.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.60
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-but-3-enyl-4-[2-[4-[(E)-hex-1-enoxy]cyclohexyl]ethyl]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-but-3-enyl-4-[2-[4-[(E)-hex-1-enoxy]cyclohexyl]ethyl]cyclohexane?
The IUPAC name of 1-but-3-enyl-4-[2-[4-[(E)-hex-1-enoxy]cyclohexyl]ethyl]cyclohexane (CID 19834837) is 1-but-3-enyl-4-[2-[4-[(E)-hex-1-enoxy]cyclohexyl]ethyl]cyclohexane.
What is the SMILES notation for 1-but-3-enyl-4-[2-[4-[(E)-hex-1-enoxy]cyclohexyl]ethyl]cyclohexane?
The canonical SMILES for 1-but-3-enyl-4-[2-[4-[(E)-hex-1-enoxy]cyclohexyl]ethyl]cyclohexane is C=CCCC1CCC(CCC2CCC(O/C=C/CCCC)CC2)CC1.
What is the InChIKey of 1-but-3-enyl-4-[2-[4-[(E)-hex-1-enoxy]cyclohexyl]ethyl]cyclohexane?
The InChIKey is QULVKZGEFVRJTP-DNTJNYDQSA-N. The full InChI is InChI=1S/C24H42O/c1-3-5-7-8-20-25-24-18-16-23(17-19-24)15-14-22-12-10-21(11-13-22)9-6-4-2/h4,8,20-24H,2-3,5-7,9-19H2,1H3/b20-8+.
What are the key properties of 1-but-3-enyl-4-[2-[4-[(E)-hex-1-enoxy]cyclohexyl]ethyl]cyclohexane?
1-but-3-enyl-4-[2-[4-[(E)-hex-1-enoxy]cyclohexyl]ethyl]cyclohexane has a molecular weight of 346.60 g/mol, XLogP of 7.82, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-4-[2-[4-[(E)-hex-1-enoxy]cyclohexyl]ethyl]cyclohexane is sourced from PubChem (CID 19834837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).