(1E,4E,6E)-1-diethoxyphosphoryl-3,7,11-trimethyldodeca-1,4,6,10-tetraene

C19H33O3P — CID 89272554

IUPAC(1E,4E,6E)-1-diethoxyphosphoryl-3,7,11-trimethyldodeca-1,4,6,10-tetraene
SMILESCCOP(=O)(/C=C/C(C)/C=C/C=C(\C)CCC=C(C)C)OCC
InChIInChI=1S/C19H33O3P/c1-7-21-23(20,22-8-2)16-15-19(6)14-10-13-18(5)12-9-11-17(3)4/h10-11,13-16,19H,7-9,12H2,1-6H3/b14-10+,16-15+,18-13+
InChIKeyAZAIARJSQJSCLO-NWSPVTERSA-N
MW340.44 g/mol
LogP6.65
Rot. Bonds11

About (1E,4E,6E)-1-diethoxyphosphoryl-3,7,11-trimethyldodeca-1,4,6,10-tetraene

(1E,4E,6E)-1-diethoxyphosphoryl-3,7,11-trimethyldodeca-1,4,6,10-tetraene (PubChem CID 89272554) has the molecular formula C19H33O3P and a molecular weight of 340.44 g/mol. Its IUPAC name is (1E,4E,6E)-1-diethoxyphosphoryl-3,7,11-trimethyldodeca-1,4,6,10-tetraene.

Molecular Properties

Compound Name(1E,4E,6E)-1-diethoxyphosphoryl-3,7,11-trimethyldodeca-1,4,6,10-tetraene
PubChem CID89272554
Molecular FormulaC19H33O3P
Molecular Weight340.44 g/mol
Exact Mass340.22
IUPAC Name(1E,4E,6E)-1-diethoxyphosphoryl-3,7,11-trimethyldodeca-1,4,6,10-tetraene
SMILESCCOP(=O)(/C=C/C(C)/C=C/C=C(\C)CCC=C(C)C)OCC
InChIInChI=1S/C19H33O3P/c1-7-21-23(20,22-8-2)16-15-19(6)14-10-13-18(5)12-9-11-17(3)4/h10-11,13-16,19H,7-9,12H2,1-6H3/b14-10+,16-15+,18-13+
InChIKeyAZAIARJSQJSCLO-NWSPVTERSA-N
XLogP6.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.44
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,4E,6E)-1-diethoxyphosphoryl-3,7,11-trimethyldodeca-1,4,6,10-tetraene?
The IUPAC name of (1E,4E,6E)-1-diethoxyphosphoryl-3,7,11-trimethyldodeca-1,4,6,10-tetraene (CID 89272554) is (1E,4E,6E)-1-diethoxyphosphoryl-3,7,11-trimethyldodeca-1,4,6,10-tetraene.
What is the SMILES notation for (1E,4E,6E)-1-diethoxyphosphoryl-3,7,11-trimethyldodeca-1,4,6,10-tetraene?
The canonical SMILES for (1E,4E,6E)-1-diethoxyphosphoryl-3,7,11-trimethyldodeca-1,4,6,10-tetraene is CCOP(=O)(/C=C/C(C)/C=C/C=C(\C)CCC=C(C)C)OCC.
What is the InChIKey of (1E,4E,6E)-1-diethoxyphosphoryl-3,7,11-trimethyldodeca-1,4,6,10-tetraene?
The InChIKey is AZAIARJSQJSCLO-NWSPVTERSA-N. The full InChI is InChI=1S/C19H33O3P/c1-7-21-23(20,22-8-2)16-15-19(6)14-10-13-18(5)12-9-11-17(3)4/h10-11,13-16,19H,7-9,12H2,1-6H3/b14-10+,16-15+,18-13+.
What are the key properties of (1E,4E,6E)-1-diethoxyphosphoryl-3,7,11-trimethyldodeca-1,4,6,10-tetraene?
(1E,4E,6E)-1-diethoxyphosphoryl-3,7,11-trimethyldodeca-1,4,6,10-tetraene has a molecular weight of 340.44 g/mol, XLogP of 6.65, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E,6E)-1-diethoxyphosphoryl-3,7,11-trimethyldodeca-1,4,6,10-tetraene is sourced from PubChem (CID 89272554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).