1-decyl-4-oct-7-enylbenzene

C24H40 — CID 91553239

IUPAC1-decyl-4-oct-7-enylbenzene
SMILESC=CCCCCCCc1ccc(CCCCCCCCCC)cc1
InChIInChI=1S/C24H40/c1-3-5-7-9-11-12-14-16-18-24-21-19-23(20-22-24)17-15-13-10-8-6-4-2/h4,19-22H,2-3,5-18H2,1H3
InChIKeyVVIDMVUXCSBNGP-UHFFFAOYSA-N
MW328.58 g/mol
LogP8.05
Rot. Bonds16

About 1-decyl-4-oct-7-enylbenzene

1-decyl-4-oct-7-enylbenzene (PubChem CID 91553239) has the molecular formula C24H40 and a molecular weight of 328.58 g/mol. Its IUPAC name is 1-decyl-4-oct-7-enylbenzene.

Molecular Properties

Compound Name1-decyl-4-oct-7-enylbenzene
PubChem CID91553239
Molecular FormulaC24H40
Molecular Weight328.58 g/mol
Exact Mass328.31
IUPAC Name1-decyl-4-oct-7-enylbenzene
SMILESC=CCCCCCCc1ccc(CCCCCCCCCC)cc1
InChIInChI=1S/C24H40/c1-3-5-7-9-11-12-14-16-18-24-21-19-23(20-22-24)17-15-13-10-8-6-4-2/h4,19-22H,2-3,5-18H2,1H3
InChIKeyVVIDMVUXCSBNGP-UHFFFAOYSA-N
XLogP8.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.58
LogP ≤ 58.05
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 1-decyl-4-oct-7-enylbenzene 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

1-decyl-4-hex-5-enylbenzene
CID 91529966
1-but-3-enyl-4-hexylbenzene
CID 91077567
1-hex-5-enyl-4-[2-[4-(4-pentylphenyl)phenyl]ethynyl]benzene
CID 139764887
1-hexyl-4-prop-2-enylbenzene
CID 91099375
1-pentyl-4-prop-2-enylbenzene
CID 24721930
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1-butyl-4-nonylbenzene
CID 59545302
non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
1-ethenyl-4-nonylbenzene;1-ethenyl-4-octylbenzene
CID 22646096
1-hex-5-enyl-4-(4-methylphenyl)benzene
CID 59812350

Frequently Asked Questions

What is the IUPAC name of 1-decyl-4-oct-7-enylbenzene?
The IUPAC name of 1-decyl-4-oct-7-enylbenzene (CID 91553239) is 1-decyl-4-oct-7-enylbenzene.
What is the SMILES notation for 1-decyl-4-oct-7-enylbenzene?
The canonical SMILES for 1-decyl-4-oct-7-enylbenzene is C=CCCCCCCc1ccc(CCCCCCCCCC)cc1.
What is the InChIKey of 1-decyl-4-oct-7-enylbenzene?
The InChIKey is VVIDMVUXCSBNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40/c1-3-5-7-9-11-12-14-16-18-24-21-19-23(20-22-24)17-15-13-10-8-6-4-2/h4,19-22H,2-3,5-18H2,1H3.
What are the key properties of 1-decyl-4-oct-7-enylbenzene?
1-decyl-4-oct-7-enylbenzene has a molecular weight of 328.58 g/mol, XLogP of 8.05, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-4-oct-7-enylbenzene is sourced from PubChem (CID 91553239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).