2-[(3E,13Z)-octadeca-3,13-dienoxy]oxane

C23H42O2 — CID 20841394

IUPAC2-[(3E,13Z)-octadeca-3,13-dienoxy]oxane
SMILESCCCC/C=C\CCCCCCCC/C=C/CCOC1CCCCO1
InChIInChI=1S/C23H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-23-20-17-19-22-25-23/h5-6,15-16,23H,2-4,7-14,17-22H2,1H3/b6-5-,16-15+
InChIKeyYYBPWCVCMWLJGZ-IYUNJCAYSA-N
MW350.59 g/mol
LogP7.34
Rot. Bonds16

About 2-[(3E,13Z)-octadeca-3,13-dienoxy]oxane

2-[(3E,13Z)-octadeca-3,13-dienoxy]oxane (PubChem CID 20841394) has the molecular formula C23H42O2 and a molecular weight of 350.59 g/mol. Its IUPAC name is 2-[(3E,13Z)-octadeca-3,13-dienoxy]oxane.

Molecular Properties

Compound Name2-[(3E,13Z)-octadeca-3,13-dienoxy]oxane
PubChem CID20841394
Molecular FormulaC23H42O2
Molecular Weight350.59 g/mol
Exact Mass350.32
IUPAC Name2-[(3E,13Z)-octadeca-3,13-dienoxy]oxane
SMILESCCCC/C=C\CCCCCCCC/C=C/CCOC1CCCCO1
InChIInChI=1S/C23H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-23-20-17-19-22-25-23/h5-6,15-16,23H,2-4,7-14,17-22H2,1H3/b6-5-,16-15+
InChIKeyYYBPWCVCMWLJGZ-IYUNJCAYSA-N
XLogP7.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.59
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(3E,13Z)-octadeca-3,13-dienoxy]oxane 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 2-[(3E,13Z)-octadeca-3,13-dienoxy]oxane?
The IUPAC name of 2-[(3E,13Z)-octadeca-3,13-dienoxy]oxane (CID 20841394) is 2-[(3E,13Z)-octadeca-3,13-dienoxy]oxane.
What is the SMILES notation for 2-[(3E,13Z)-octadeca-3,13-dienoxy]oxane?
The canonical SMILES for 2-[(3E,13Z)-octadeca-3,13-dienoxy]oxane is CCCC/C=C\CCCCCCCC/C=C/CCOC1CCCCO1.
What is the InChIKey of 2-[(3E,13Z)-octadeca-3,13-dienoxy]oxane?
The InChIKey is YYBPWCVCMWLJGZ-IYUNJCAYSA-N. The full InChI is InChI=1S/C23H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-23-20-17-19-22-25-23/h5-6,15-16,23H,2-4,7-14,17-22H2,1H3/b6-5-,16-15+.
What are the key properties of 2-[(3E,13Z)-octadeca-3,13-dienoxy]oxane?
2-[(3E,13Z)-octadeca-3,13-dienoxy]oxane has a molecular weight of 350.59 g/mol, XLogP of 7.34, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E,13Z)-octadeca-3,13-dienoxy]oxane is sourced from PubChem (CID 20841394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).