2-[(3E,8Z,11Z)-tetradeca-3,8,11-trienoxy]oxane

C19H32O2 — CID 11808486

IUPAC2-[(3E,8Z,11Z)-tetradeca-3,8,11-trienoxy]oxane
SMILESCC/C=C\C/C=C\CCC/C=C/CCOC1CCCCO1
InChIInChI=1S/C19H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-19-16-13-15-18-21-19/h3-4,6-7,11-12,19H,2,5,8-10,13-18H2,1H3/b4-3-,7-6-,12-11+
InChIKeyOZRGPKVJGNYZSW-VRKJLTSTSA-N
MW292.46 g/mol
LogP5.56
Rot. Bonds11

About 2-[(3E,8Z,11Z)-tetradeca-3,8,11-trienoxy]oxane

2-[(3E,8Z,11Z)-tetradeca-3,8,11-trienoxy]oxane (PubChem CID 11808486) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 2-[(3E,8Z,11Z)-tetradeca-3,8,11-trienoxy]oxane.

Molecular Properties

Compound Name2-[(3E,8Z,11Z)-tetradeca-3,8,11-trienoxy]oxane
PubChem CID11808486
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name2-[(3E,8Z,11Z)-tetradeca-3,8,11-trienoxy]oxane
SMILESCC/C=C\C/C=C\CCC/C=C/CCOC1CCCCO1
InChIInChI=1S/C19H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-19-16-13-15-18-21-19/h3-4,6-7,11-12,19H,2,5,8-10,13-18H2,1H3/b4-3-,7-6-,12-11+
InChIKeyOZRGPKVJGNYZSW-VRKJLTSTSA-N
XLogP5.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.46
LogP ≤ 55.56
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3E,8Z,11Z)-tetradeca-3,8,11-trienoxy]oxane?
The IUPAC name of 2-[(3E,8Z,11Z)-tetradeca-3,8,11-trienoxy]oxane (CID 11808486) is 2-[(3E,8Z,11Z)-tetradeca-3,8,11-trienoxy]oxane.
What is the SMILES notation for 2-[(3E,8Z,11Z)-tetradeca-3,8,11-trienoxy]oxane?
The canonical SMILES for 2-[(3E,8Z,11Z)-tetradeca-3,8,11-trienoxy]oxane is CC/C=C\C/C=C\CCC/C=C/CCOC1CCCCO1.
What is the InChIKey of 2-[(3E,8Z,11Z)-tetradeca-3,8,11-trienoxy]oxane?
The InChIKey is OZRGPKVJGNYZSW-VRKJLTSTSA-N. The full InChI is InChI=1S/C19H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-19-16-13-15-18-21-19/h3-4,6-7,11-12,19H,2,5,8-10,13-18H2,1H3/b4-3-,7-6-,12-11+.
What are the key properties of 2-[(3E,8Z,11Z)-tetradeca-3,8,11-trienoxy]oxane?
2-[(3E,8Z,11Z)-tetradeca-3,8,11-trienoxy]oxane has a molecular weight of 292.46 g/mol, XLogP of 5.56, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E,8Z,11Z)-tetradeca-3,8,11-trienoxy]oxane is sourced from PubChem (CID 11808486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).