heptadeca-1,8-dien-11,13,15-triyne

C17H20 — CID 71326872

IUPACheptadeca-1,8-dien-11,13,15-triyne
SMILESC=CCCCCCC=CCC#CC#CC#CC
InChIInChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,15,17H,1,5,7,9,11,13,16H2,2H3
InChIKeyFFKAQLNVYWMLFO-UHFFFAOYSA-N
MW224.35 g/mol
LogP4.10
Rot. Bonds7

About heptadeca-1,8-dien-11,13,15-triyne

heptadeca-1,8-dien-11,13,15-triyne (PubChem CID 71326872) has the molecular formula C17H20 and a molecular weight of 224.35 g/mol. Its IUPAC name is heptadeca-1,8-dien-11,13,15-triyne.

Molecular Properties

Compound Nameheptadeca-1,8-dien-11,13,15-triyne
PubChem CID71326872
Molecular FormulaC17H20
Molecular Weight224.35 g/mol
Exact Mass224.16
IUPAC Nameheptadeca-1,8-dien-11,13,15-triyne
SMILESC=CCCCCCC=CCC#CC#CC#CC
InChIInChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,15,17H,1,5,7,9,11,13,16H2,2H3
InChIKeyFFKAQLNVYWMLFO-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 54.10
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': 'triple_bond', 'substructure': 'N/A'}

Analyze heptadeca-1,8-dien-11,13,15-triyne 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 heptadeca-1,8-dien-11,13,15-triyne?
The IUPAC name of heptadeca-1,8-dien-11,13,15-triyne (CID 71326872) is heptadeca-1,8-dien-11,13,15-triyne.
What is the SMILES notation for heptadeca-1,8-dien-11,13,15-triyne?
The canonical SMILES for heptadeca-1,8-dien-11,13,15-triyne is C=CCCCCCC=CCC#CC#CC#CC.
What is the InChIKey of heptadeca-1,8-dien-11,13,15-triyne?
The InChIKey is FFKAQLNVYWMLFO-UHFFFAOYSA-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/h3,15,17H,1,5,7,9,11,13,16H2,2H3.
What are the key properties of heptadeca-1,8-dien-11,13,15-triyne?
heptadeca-1,8-dien-11,13,15-triyne has a molecular weight of 224.35 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptadeca-1,8-dien-11,13,15-triyne is sourced from PubChem (CID 71326872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).