(7E,9E,15E)-heptadeca-1,7,9,15-tetraen-11,13-diyne

C17H20 — CID 6442686

IUPAC(7E,9E,15E)-heptadeca-1,7,9,15-tetraen-11,13-diyne
SMILESC=CCCCC/C=C/C=C/C#CC#C/C=C/C
InChIInChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3/b6-4+,15-13+,17-16+
InChIKeyZJZNMXVJKYOSGJ-GORQMSRHSA-N
MW224.35 g/mol
LogP4.43
Rot. Bonds6

About (7E,9E,15E)-heptadeca-1,7,9,15-tetraen-11,13-diyne

(7E,9E,15E)-heptadeca-1,7,9,15-tetraen-11,13-diyne (PubChem CID 6442686) has the molecular formula C17H20 and a molecular weight of 224.35 g/mol. Its IUPAC name is (7E,9E,15E)-heptadeca-1,7,9,15-tetraen-11,13-diyne.

Molecular Properties

Compound Name(7E,9E,15E)-heptadeca-1,7,9,15-tetraen-11,13-diyne
PubChem CID6442686
Molecular FormulaC17H20
Molecular Weight224.35 g/mol
Exact Mass224.16
IUPAC Name(7E,9E,15E)-heptadeca-1,7,9,15-tetraen-11,13-diyne
SMILESC=CCCCC/C=C/C=C/C#CC#C/C=C/C
InChIInChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3/b6-4+,15-13+,17-16+
InChIKeyZJZNMXVJKYOSGJ-GORQMSRHSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 54.43
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (7E,9E,15E)-heptadeca-1,7,9,15-tetraen-11,13-diyne 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 (7E,9E,15E)-heptadeca-1,7,9,15-tetraen-11,13-diyne?
The IUPAC name of (7E,9E,15E)-heptadeca-1,7,9,15-tetraen-11,13-diyne (CID 6442686) is (7E,9E,15E)-heptadeca-1,7,9,15-tetraen-11,13-diyne.
What is the SMILES notation for (7E,9E,15E)-heptadeca-1,7,9,15-tetraen-11,13-diyne?
The canonical SMILES for (7E,9E,15E)-heptadeca-1,7,9,15-tetraen-11,13-diyne is C=CCCCC/C=C/C=C/C#CC#C/C=C/C.
What is the InChIKey of (7E,9E,15E)-heptadeca-1,7,9,15-tetraen-11,13-diyne?
The InChIKey is ZJZNMXVJKYOSGJ-GORQMSRHSA-N. The full InChI is InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3/b6-4+,15-13+,17-16+.
What are the key properties of (7E,9E,15E)-heptadeca-1,7,9,15-tetraen-11,13-diyne?
(7E,9E,15E)-heptadeca-1,7,9,15-tetraen-11,13-diyne has a molecular weight of 224.35 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (7E,9E,15E)-heptadeca-1,7,9,15-tetraen-11,13-diyne is sourced from PubChem (CID 6442686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).