1-decyl-4-hept-1-enylbenzene

C23H38 — CID 173045869

IUPAC1-decyl-4-hept-1-enylbenzene
SMILESCCCCCC=Cc1ccc(CCCCCCCCCC)cc1
InChIInChI=1S/C23H38/c1-3-5-7-9-10-11-13-15-17-23-20-18-22(19-21-23)16-14-12-8-6-4-2/h14,16,18-21H,3-13,15,17H2,1-2H3
InChIKeyAZUSQIJNLPUOSI-UHFFFAOYSA-N
MW314.56 g/mol
LogP7.96
Rot. Bonds14

About 1-decyl-4-hept-1-enylbenzene

1-decyl-4-hept-1-enylbenzene (PubChem CID 173045869) has the molecular formula C23H38 and a molecular weight of 314.56 g/mol. Its IUPAC name is 1-decyl-4-hept-1-enylbenzene.

Molecular Properties

Compound Name1-decyl-4-hept-1-enylbenzene
PubChem CID173045869
Molecular FormulaC23H38
Molecular Weight314.56 g/mol
Exact Mass314.30
IUPAC Name1-decyl-4-hept-1-enylbenzene
SMILESCCCCCC=Cc1ccc(CCCCCCCCCC)cc1
InChIInChI=1S/C23H38/c1-3-5-7-9-10-11-13-15-17-23-20-18-22(19-21-23)16-14-12-8-6-4-2/h14,16,18-21H,3-13,15,17H2,1-2H3
InChIKeyAZUSQIJNLPUOSI-UHFFFAOYSA-N
XLogP7.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.56
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-decyl-4-hept-1-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

4-(4-hexylphenyl)but-3-ene-1-thiol
CID 170479144
1-hexyl-4-(4-methoxybut-1-enyl)benzene
CID 69349252
3-(4-hexylphenyl)prop-2-en-1-ol
CID 169454033
1-decyl-4-[4-(4-octylphenyl)buta-1,3-dienyl]benzene
CID 173328821
1-decoxy-4-[2-(4-non-1-enylphenyl)ethyl]benzene
CID 54159128
3-[4-[(E)-non-1-enyl]phenyl]propanoic acid
CID 67913718
1-heptyl-4-[[4-[(E)-pent-1-enyl]phenoxy]methyl]benzene
CID 22991613
1-hex-1-enyl-4-[(4-propylphenyl)methyl]benzene
CID 54142256
N-methyl-4-nonadec-1-enyl-N-octadecylaniline;N-methyl-4-nonadecyl-N-octadecylaniline;4-[methyl(octadecyl)amino]benzaldehyde
CID 160695648
1-bromo-4-[(E)-dec-1-enyl]benzene
CID 102523301
[(E)-octadec-1-enyl]benzene
CID 22722345
nonadec-10-enylbenzene
CID 54264053

Frequently Asked Questions

What is the IUPAC name of 1-decyl-4-hept-1-enylbenzene?
The IUPAC name of 1-decyl-4-hept-1-enylbenzene (CID 173045869) is 1-decyl-4-hept-1-enylbenzene.
What is the SMILES notation for 1-decyl-4-hept-1-enylbenzene?
The canonical SMILES for 1-decyl-4-hept-1-enylbenzene is CCCCCC=Cc1ccc(CCCCCCCCCC)cc1.
What is the InChIKey of 1-decyl-4-hept-1-enylbenzene?
The InChIKey is AZUSQIJNLPUOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38/c1-3-5-7-9-10-11-13-15-17-23-20-18-22(19-21-23)16-14-12-8-6-4-2/h14,16,18-21H,3-13,15,17H2,1-2H3.
What are the key properties of 1-decyl-4-hept-1-enylbenzene?
1-decyl-4-hept-1-enylbenzene has a molecular weight of 314.56 g/mol, XLogP of 7.96, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-4-hept-1-enylbenzene is sourced from PubChem (CID 173045869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).