(E)-1-diethoxyphosphoryloct-2-ene

C12H25O3P — CID 10444695

IUPAC(E)-1-diethoxyphosphoryloct-2-ene
SMILESCCCCC/C=C/CP(=O)(OCC)OCC
InChIInChI=1S/C12H25O3P/c1-4-7-8-9-10-11-12-16(13,14-5-2)15-6-3/h10-11H,4-9,12H2,1-3H3/b11-10+
InChIKeyBEGDAROTDLPQJO-ZHACJKMWSA-N
MW248.30 g/mol
LogP4.39
Rot. Bonds10

About (E)-1-diethoxyphosphoryloct-2-ene

(E)-1-diethoxyphosphoryloct-2-ene (PubChem CID 10444695) has the molecular formula C12H25O3P and a molecular weight of 248.30 g/mol. Its IUPAC name is (E)-1-diethoxyphosphoryloct-2-ene.

Molecular Properties

Compound Name(E)-1-diethoxyphosphoryloct-2-ene
PubChem CID10444695
Molecular FormulaC12H25O3P
Molecular Weight248.30 g/mol
Exact Mass248.15
IUPAC Name(E)-1-diethoxyphosphoryloct-2-ene
SMILESCCCCC/C=C/CP(=O)(OCC)OCC
InChIInChI=1S/C12H25O3P/c1-4-7-8-9-10-11-12-16(13,14-5-2)15-6-3/h10-11H,4-9,12H2,1-3H3/b11-10+
InChIKeyBEGDAROTDLPQJO-ZHACJKMWSA-N
XLogP4.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-1-diethoxyphosphoryloct-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methoxyarachidonoyl Fluorophosphonate
CID 10429254
Phosphoric acid mono-((E)-dec-4-enyl) ester
CID 11276402
Methyl gamma-linolenyl fluorophosphonate
CID 71684459
methyl (S)-(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-ylphosphonofluoridate
CID 92536013
Methoxy arachidonyl fluorophosphonate
CID 5353761
(Z)-1-[ethoxy(fluoro)phosphoryl]octadec-8-ene
CID 44589212
((E)-1,1-Difluoro-hept-2-enyl)-phosphonic acid diethyl ester
CID 10539959
CID 92471077
CID 92471077
(Z)-1-diethoxyphosphoryl-1-fluorooct-2-ene
CID 100929330
1-[Fluoro(methoxy)phosphoryl]icosa-5,8,11,14-tetraene
CID 4125
(E)-1-diethoxyphosphoryloct-1-ene
CID 11032225
(4-Pentenyl)phosphonic acid diethyl ester
CID 13462469

Frequently Asked Questions

What is the IUPAC name of (E)-1-diethoxyphosphoryloct-2-ene?
The IUPAC name of (E)-1-diethoxyphosphoryloct-2-ene (CID 10444695) is (E)-1-diethoxyphosphoryloct-2-ene.
What is the SMILES notation for (E)-1-diethoxyphosphoryloct-2-ene?
The canonical SMILES for (E)-1-diethoxyphosphoryloct-2-ene is CCCCC/C=C/CP(=O)(OCC)OCC.
What is the InChIKey of (E)-1-diethoxyphosphoryloct-2-ene?
The InChIKey is BEGDAROTDLPQJO-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H25O3P/c1-4-7-8-9-10-11-12-16(13,14-5-2)15-6-3/h10-11H,4-9,12H2,1-3H3/b11-10+.
What are the key properties of (E)-1-diethoxyphosphoryloct-2-ene?
(E)-1-diethoxyphosphoryloct-2-ene has a molecular weight of 248.30 g/mol, XLogP of 4.39, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-diethoxyphosphoryloct-2-ene is sourced from PubChem (CID 10444695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).