pentadeca-1,4,5-triene

C15H26 — CID 174394424

IUPACpentadeca-1,4,5-triene
SMILESC=CCC=C=CCCCCCCCCC
InChIInChI=1S/C15H26/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3,7,11H,1,4-6,8,10,12-15H2,2H3
InChIKeyKSAQHRSYKDUOOX-UHFFFAOYSA-N
MW206.37 g/mol
LogP5.41
Rot. Bonds10

About pentadeca-1,4,5-triene

pentadeca-1,4,5-triene (PubChem CID 174394424) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is pentadeca-1,4,5-triene.

Molecular Properties

Compound Namepentadeca-1,4,5-triene
PubChem CID174394424
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Namepentadeca-1,4,5-triene
SMILESC=CCC=C=CCCCCCCCCC
InChIInChI=1S/C15H26/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3,7,11H,1,4-6,8,10,12-15H2,2H3
InChIKeyKSAQHRSYKDUOOX-UHFFFAOYSA-N
XLogP5.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500206.37
LogP ≤ 55.41
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 pentadeca-1,4,5-triene 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

bis(dec-1-ene);nonadeca-9,10-diene
CID 91436837
pentacosa-12,13-diene
CID 174365678
octadeca-5,6-diene
CID 141110817
dodeca-3,4-diene
CID 91492112
heptatriaconta-15,18,19-triene
CID 57100861
octadeca-2,3-dien-1-ol
CID 138969077
non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
octadec-1-ene;tetradec-1-ene
CID 158470925
octadecane;octadec-1-ene
CID 162018238
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706

Frequently Asked Questions

What is the IUPAC name of pentadeca-1,4,5-triene?
The IUPAC name of pentadeca-1,4,5-triene (CID 174394424) is pentadeca-1,4,5-triene.
What is the SMILES notation for pentadeca-1,4,5-triene?
The canonical SMILES for pentadeca-1,4,5-triene is C=CCC=C=CCCCCCCCCC.
What is the InChIKey of pentadeca-1,4,5-triene?
The InChIKey is KSAQHRSYKDUOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3,7,11H,1,4-6,8,10,12-15H2,2H3.
What are the key properties of pentadeca-1,4,5-triene?
pentadeca-1,4,5-triene has a molecular weight of 206.37 g/mol, XLogP of 5.41, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentadeca-1,4,5-triene is sourced from PubChem (CID 174394424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).