17-hydroxyheptadeca-7,9,15-trien-11,13-diyn-4-one

C17H20O2 — CID 75224290

IUPAC17-hydroxyheptadeca-7,9,15-trien-11,13-diyn-4-one
SMILESCCCC(=O)CCC=CC=CC#CC#CC=CCO
InChIInChI=1S/C17H20O2/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18/h4,6,8,10-11,13,18H,2,12,14-16H2,1H3
InChIKeyORKCFSINEADMSV-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.80
Rot. Bonds7

About 17-hydroxyheptadeca-7,9,15-trien-11,13-diyn-4-one

17-hydroxyheptadeca-7,9,15-trien-11,13-diyn-4-one (PubChem CID 75224290) has the molecular formula C17H20O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 17-hydroxyheptadeca-7,9,15-trien-11,13-diyn-4-one.

Molecular Properties

Compound Name17-hydroxyheptadeca-7,9,15-trien-11,13-diyn-4-one
PubChem CID75224290
Molecular FormulaC17H20O2
Molecular Weight256.35 g/mol
Exact Mass256.15
IUPAC Name17-hydroxyheptadeca-7,9,15-trien-11,13-diyn-4-one
SMILESCCCC(=O)CCC=CC=CC#CC#CC=CCO
InChIInChI=1S/C17H20O2/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18/h4,6,8,10-11,13,18H,2,12,14-16H2,1H3
InChIKeyORKCFSINEADMSV-UHFFFAOYSA-N
XLogP2.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 17-hydroxyheptadeca-7,9,15-trien-11,13-diyn-4-one 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 17-hydroxyheptadeca-7,9,15-trien-11,13-diyn-4-one?
The IUPAC name of 17-hydroxyheptadeca-7,9,15-trien-11,13-diyn-4-one (CID 75224290) is 17-hydroxyheptadeca-7,9,15-trien-11,13-diyn-4-one.
What is the SMILES notation for 17-hydroxyheptadeca-7,9,15-trien-11,13-diyn-4-one?
The canonical SMILES for 17-hydroxyheptadeca-7,9,15-trien-11,13-diyn-4-one is CCCC(=O)CCC=CC=CC#CC#CC=CCO.
What is the InChIKey of 17-hydroxyheptadeca-7,9,15-trien-11,13-diyn-4-one?
The InChIKey is ORKCFSINEADMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18/h4,6,8,10-11,13,18H,2,12,14-16H2,1H3.
What are the key properties of 17-hydroxyheptadeca-7,9,15-trien-11,13-diyn-4-one?
17-hydroxyheptadeca-7,9,15-trien-11,13-diyn-4-one has a molecular weight of 256.35 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17-hydroxyheptadeca-7,9,15-trien-11,13-diyn-4-one is sourced from PubChem (CID 75224290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).