3-[(1Z,3Z,5Z,7Z,9Z,11Z)-tetradeca-1,3,5,7,9,11-hexaenoxy]propane-1,2-diol

C17H24O3 — CID 6440354

IUPAC3-[(1Z,3Z,5Z,7Z,9Z,11Z)-tetradeca-1,3,5,7,9,11-hexaenoxy]propane-1,2-diol
SMILESCC/C=C\C=C/C=C\C=C/C=C\C=C/OCC(O)CO
InChIInChI=1S/C17H24O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-16-17(19)15-18/h3-14,17-19H,2,15-16H2,1H3/b4-3-,6-5-,8-7-,10-9-,12-11-,14-13-
InChIKeyOCMYJNQOMOQOQM-KDGSQEETSA-N
MW276.38 g/mol
LogP3.06
Rot. Bonds10

About 3-[(1Z,3Z,5Z,7Z,9Z,11Z)-tetradeca-1,3,5,7,9,11-hexaenoxy]propane-1,2-diol

3-[(1Z,3Z,5Z,7Z,9Z,11Z)-tetradeca-1,3,5,7,9,11-hexaenoxy]propane-1,2-diol (PubChem CID 6440354) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[(1Z,3Z,5Z,7Z,9Z,11Z)-tetradeca-1,3,5,7,9,11-hexaenoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[(1Z,3Z,5Z,7Z,9Z,11Z)-tetradeca-1,3,5,7,9,11-hexaenoxy]propane-1,2-diol
PubChem CID6440354
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name3-[(1Z,3Z,5Z,7Z,9Z,11Z)-tetradeca-1,3,5,7,9,11-hexaenoxy]propane-1,2-diol
SMILESCC/C=C\C=C/C=C\C=C/C=C\C=C/OCC(O)CO
InChIInChI=1S/C17H24O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-16-17(19)15-18/h3-14,17-19H,2,15-16H2,1H3/b4-3-,6-5-,8-7-,10-9-,12-11-,14-13-
InChIKeyOCMYJNQOMOQOQM-KDGSQEETSA-N
XLogP3.06
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 3-[(1Z,3Z,5Z,7Z,9Z,11Z)-tetradeca-1,3,5,7,9,11-hexaenoxy]propane-1,2-diol 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 3-[(1Z,3Z,5Z,7Z,9Z,11Z)-tetradeca-1,3,5,7,9,11-hexaenoxy]propane-1,2-diol?
The IUPAC name of 3-[(1Z,3Z,5Z,7Z,9Z,11Z)-tetradeca-1,3,5,7,9,11-hexaenoxy]propane-1,2-diol (CID 6440354) is 3-[(1Z,3Z,5Z,7Z,9Z,11Z)-tetradeca-1,3,5,7,9,11-hexaenoxy]propane-1,2-diol.
What is the SMILES notation for 3-[(1Z,3Z,5Z,7Z,9Z,11Z)-tetradeca-1,3,5,7,9,11-hexaenoxy]propane-1,2-diol?
The canonical SMILES for 3-[(1Z,3Z,5Z,7Z,9Z,11Z)-tetradeca-1,3,5,7,9,11-hexaenoxy]propane-1,2-diol is CC/C=C\C=C/C=C\C=C/C=C\C=C/OCC(O)CO.
What is the InChIKey of 3-[(1Z,3Z,5Z,7Z,9Z,11Z)-tetradeca-1,3,5,7,9,11-hexaenoxy]propane-1,2-diol?
The InChIKey is OCMYJNQOMOQOQM-KDGSQEETSA-N. The full InChI is InChI=1S/C17H24O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-16-17(19)15-18/h3-14,17-19H,2,15-16H2,1H3/b4-3-,6-5-,8-7-,10-9-,12-11-,14-13-.
What are the key properties of 3-[(1Z,3Z,5Z,7Z,9Z,11Z)-tetradeca-1,3,5,7,9,11-hexaenoxy]propane-1,2-diol?
3-[(1Z,3Z,5Z,7Z,9Z,11Z)-tetradeca-1,3,5,7,9,11-hexaenoxy]propane-1,2-diol has a molecular weight of 276.38 g/mol, XLogP of 3.06, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1Z,3Z,5Z,7Z,9Z,11Z)-tetradeca-1,3,5,7,9,11-hexaenoxy]propane-1,2-diol is sourced from PubChem (CID 6440354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).