[(3E,5E)-4-ethynyldeca-3,5-dienyl]benzene

C18H22 — CID 11310969

IUPAC[(3E,5E)-4-ethynyldeca-3,5-dienyl]benzene
SMILESC#CC(/C=C/CCCC)=C/CCc1ccccc1
InChIInChI=1S/C18H22/c1-3-5-6-8-12-17(4-2)15-11-16-18-13-9-7-10-14-18/h2,7-10,12-15H,3,5-6,11,16H2,1H3/b12-8+,17-15-
InChIKeyHIDBOVMCOSMEKE-XJNJCNPFSA-N
MW238.37 g/mol
LogP4.93
Rot. Bonds7

About [(3E,5E)-4-ethynyldeca-3,5-dienyl]benzene

[(3E,5E)-4-ethynyldeca-3,5-dienyl]benzene (PubChem CID 11310969) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is [(3E,5E)-4-ethynyldeca-3,5-dienyl]benzene.

Molecular Properties

Compound Name[(3E,5E)-4-ethynyldeca-3,5-dienyl]benzene
PubChem CID11310969
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name[(3E,5E)-4-ethynyldeca-3,5-dienyl]benzene
SMILESC#CC(/C=C/CCCC)=C/CCc1ccccc1
InChIInChI=1S/C18H22/c1-3-5-6-8-12-17(4-2)15-11-16-18-13-9-7-10-14-18/h2,7-10,12-15H,3,5-6,11,16H2,1H3/b12-8+,17-15-
InChIKeyHIDBOVMCOSMEKE-XJNJCNPFSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(3E,5E)-4-ethynyldeca-3,5-dienyl]benzene 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 [(3E,5E)-4-ethynyldeca-3,5-dienyl]benzene?
The IUPAC name of [(3E,5E)-4-ethynyldeca-3,5-dienyl]benzene (CID 11310969) is [(3E,5E)-4-ethynyldeca-3,5-dienyl]benzene.
What is the SMILES notation for [(3E,5E)-4-ethynyldeca-3,5-dienyl]benzene?
The canonical SMILES for [(3E,5E)-4-ethynyldeca-3,5-dienyl]benzene is C#CC(/C=C/CCCC)=C/CCc1ccccc1.
What is the InChIKey of [(3E,5E)-4-ethynyldeca-3,5-dienyl]benzene?
The InChIKey is HIDBOVMCOSMEKE-XJNJCNPFSA-N. The full InChI is InChI=1S/C18H22/c1-3-5-6-8-12-17(4-2)15-11-16-18-13-9-7-10-14-18/h2,7-10,12-15H,3,5-6,11,16H2,1H3/b12-8+,17-15-.
What are the key properties of [(3E,5E)-4-ethynyldeca-3,5-dienyl]benzene?
[(3E,5E)-4-ethynyldeca-3,5-dienyl]benzene has a molecular weight of 238.37 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5E)-4-ethynyldeca-3,5-dienyl]benzene is sourced from PubChem (CID 11310969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).