(5E,7E)-hexadeca-5,7-diene

C16H30 — CID 13032294

IUPAC(5E,7E)-hexadeca-5,7-diene
SMILESCCCC/C=C/C=C/CCCCCCCC
InChIInChI=1S/C16H30/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h9,11,13,15H,3-8,10,12,14,16H2,1-2H3/b11-9+,15-13+
InChIKeyMCIYIQIFPLNYBX-PXELCPQFSA-N
MW222.42 g/mol
LogP6.04
Rot. Bonds11

About (5E,7E)-hexadeca-5,7-diene

(5E,7E)-hexadeca-5,7-diene (PubChem CID 13032294) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is (5E,7E)-hexadeca-5,7-diene.

Molecular Properties

Compound Name(5E,7E)-hexadeca-5,7-diene
PubChem CID13032294
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name(5E,7E)-hexadeca-5,7-diene
SMILESCCCC/C=C/C=C/CCCCCCCC
InChIInChI=1S/C16H30/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h9,11,13,15H,3-8,10,12,14,16H2,1-2H3/b11-9+,15-13+
InChIKeyMCIYIQIFPLNYBX-PXELCPQFSA-N
XLogP6.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 56.04
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 (5E,7E)-hexadeca-5,7-diene 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

(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
(22E)-heptatetraconta-22,24-diene
CID 56629131
(6E)-octadeca-4,6-diene
CID 173243345
docos-5-ene
CID 54227700
nonadec-5-ene
CID 543596
(5Z,7Z)-18-chlorooctadeca-5,7-diene
CID 146189522
(5Z,7Z)-16-chlorohexadeca-5,7-diene
CID 146189468
(5E,7Z)-13-chlorotrideca-5,7-diene
CID 146189533
(4E,6E)-1-chlorohexadeca-4,6-diene
CID 132820251
(5E,7E)-17-chloroheptadeca-5,7-diene
CID 146189406
heptadeca-5,9-diene
CID 123203573
(5E,9E)-nonacosa-5,9-diene
CID 56936191

Frequently Asked Questions

What is the IUPAC name of (5E,7E)-hexadeca-5,7-diene?
The IUPAC name of (5E,7E)-hexadeca-5,7-diene (CID 13032294) is (5E,7E)-hexadeca-5,7-diene.
What is the SMILES notation for (5E,7E)-hexadeca-5,7-diene?
The canonical SMILES for (5E,7E)-hexadeca-5,7-diene is CCCC/C=C/C=C/CCCCCCCC.
What is the InChIKey of (5E,7E)-hexadeca-5,7-diene?
The InChIKey is MCIYIQIFPLNYBX-PXELCPQFSA-N. The full InChI is InChI=1S/C16H30/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h9,11,13,15H,3-8,10,12,14,16H2,1-2H3/b11-9+,15-13+.
What are the key properties of (5E,7E)-hexadeca-5,7-diene?
(5E,7E)-hexadeca-5,7-diene has a molecular weight of 222.42 g/mol, XLogP of 6.04, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7E)-hexadeca-5,7-diene is sourced from PubChem (CID 13032294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).