3,4-bis(dec-1-enyl)-5-hex-1-enyl-6-methylcyclohexene

C33H58 — CID 123527582

IUPAC3,4-bis(dec-1-enyl)-5-hex-1-enyl-6-methylcyclohexene
SMILESCCCCC=CC1C(C)C=CC(C=CCCCCCCCC)C1C=CCCCCCCCC
InChIInChI=1S/C33H58/c1-5-8-11-14-16-18-20-22-25-31-29-28-30(4)32(26-23-13-10-7-3)33(31)27-24-21-19-17-15-12-9-6-2/h22-33H,5-21H2,1-4H3
InChIKeyCLYYJZMNEUXOGD-UHFFFAOYSA-N
MW454.83 g/mol
LogP11.40
Rot. Bonds20

About 3,4-bis(dec-1-enyl)-5-hex-1-enyl-6-methylcyclohexene

3,4-bis(dec-1-enyl)-5-hex-1-enyl-6-methylcyclohexene (PubChem CID 123527582) has the molecular formula C33H58 and a molecular weight of 454.83 g/mol. Its IUPAC name is 3,4-bis(dec-1-enyl)-5-hex-1-enyl-6-methylcyclohexene.

Molecular Properties

Compound Name3,4-bis(dec-1-enyl)-5-hex-1-enyl-6-methylcyclohexene
PubChem CID123527582
Molecular FormulaC33H58
Molecular Weight454.83 g/mol
Exact Mass454.45
IUPAC Name3,4-bis(dec-1-enyl)-5-hex-1-enyl-6-methylcyclohexene
SMILESCCCCC=CC1C(C)C=CC(C=CCCCCCCCC)C1C=CCCCCCCCC
InChIInChI=1S/C33H58/c1-5-8-11-14-16-18-20-22-25-31-29-28-30(4)32(26-23-13-10-7-3)33(31)27-24-21-19-17-15-12-9-6-2/h22-33H,5-21H2,1-4H3
InChIKeyCLYYJZMNEUXOGD-UHFFFAOYSA-N
XLogP11.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.83
LogP ≤ 511.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3,4-bis(dec-1-enyl)-5-hex-1-enyl-6-methylcyclohexene with MolForge

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

Launch Full Analysis

Related Compounds

4-butyl-5-dodeca-1,3-dienyl-3-ethyl-6-hex-1-enylcyclohexene
CID 123654587
5-[(E)-non-1-enyl]cyclopenta-1,3-diene
CID 15399897
docos-5-ene
CID 54227700
nonadec-5-ene
CID 543596
(3S,4S)-3-[(E)-dec-1-enyl]-4-heptylcyclopentene
CID 22811219
heptadeca-5,9-diene
CID 123203573
(5E,9E)-nonacosa-5,9-diene
CID 56936191
(3S,4S)-3-oct-1-enyl-4-oct-2-enylcyclopentene
CID 57204921
(E)-nonacos-10-ene
CID 14367300
nonacos-7-ene
CID 71381021
(Z)-triacont-9-ene
CID 57484178
hexacont-21-ene
CID 54293076

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(dec-1-enyl)-5-hex-1-enyl-6-methylcyclohexene?
The IUPAC name of 3,4-bis(dec-1-enyl)-5-hex-1-enyl-6-methylcyclohexene (CID 123527582) is 3,4-bis(dec-1-enyl)-5-hex-1-enyl-6-methylcyclohexene.
What is the SMILES notation for 3,4-bis(dec-1-enyl)-5-hex-1-enyl-6-methylcyclohexene?
The canonical SMILES for 3,4-bis(dec-1-enyl)-5-hex-1-enyl-6-methylcyclohexene is CCCCC=CC1C(C)C=CC(C=CCCCCCCCC)C1C=CCCCCCCCC.
What is the InChIKey of 3,4-bis(dec-1-enyl)-5-hex-1-enyl-6-methylcyclohexene?
The InChIKey is CLYYJZMNEUXOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H58/c1-5-8-11-14-16-18-20-22-25-31-29-28-30(4)32(26-23-13-10-7-3)33(31)27-24-21-19-17-15-12-9-6-2/h22-33H,5-21H2,1-4H3.
What are the key properties of 3,4-bis(dec-1-enyl)-5-hex-1-enyl-6-methylcyclohexene?
3,4-bis(dec-1-enyl)-5-hex-1-enyl-6-methylcyclohexene has a molecular weight of 454.83 g/mol, XLogP of 11.40, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(dec-1-enyl)-5-hex-1-enyl-6-methylcyclohexene is sourced from PubChem (CID 123527582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).