(3E)-pentadeca-1,3-diene

C15H28 — CID 6440528

IUPAC(3E)-pentadeca-1,3-diene
SMILESC=C/C=C/CCCCCCCCCCC
InChIInChI=1S/C15H28/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3,5,7H,1,4,6,8-15H2,2H3/b7-5+
InChIKeySHWRGPMBBKBLKB-FNORWQNLSA-N
MW208.39 g/mol
LogP5.65
Rot. Bonds11

About (3E)-pentadeca-1,3-diene

(3E)-pentadeca-1,3-diene (PubChem CID 6440528) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is (3E)-pentadeca-1,3-diene.

Molecular Properties

Compound Name(3E)-pentadeca-1,3-diene
PubChem CID6440528
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name(3E)-pentadeca-1,3-diene
SMILESC=C/C=C/CCCCCCCCCCC
InChIInChI=1S/C15H28/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3,5,7H,1,4,6,8-15H2,2H3/b7-5+
InChIKeySHWRGPMBBKBLKB-FNORWQNLSA-N
XLogP5.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.65
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'}

Analyze (3E)-pentadeca-1,3-diene 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)-pentadeca-1,3-diene?
The IUPAC name of (3E)-pentadeca-1,3-diene (CID 6440528) is (3E)-pentadeca-1,3-diene.
What is the SMILES notation for (3E)-pentadeca-1,3-diene?
The canonical SMILES for (3E)-pentadeca-1,3-diene is C=C/C=C/CCCCCCCCCCC.
What is the InChIKey of (3E)-pentadeca-1,3-diene?
The InChIKey is SHWRGPMBBKBLKB-FNORWQNLSA-N. The full InChI is InChI=1S/C15H28/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3,5,7H,1,4,6,8-15H2,2H3/b7-5+.
What are the key properties of (3E)-pentadeca-1,3-diene?
(3E)-pentadeca-1,3-diene has a molecular weight of 208.39 g/mol, XLogP of 5.65, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-pentadeca-1,3-diene is sourced from PubChem (CID 6440528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).