(3Z)-3-(2-diethoxyphosphorylethylidene)oxolan-2-one

C10H17O5P — CID 134995432

IUPAC(3Z)-3-(2-diethoxyphosphorylethylidene)oxolan-2-one
SMILESCCOP(=O)(C/C=C1/CCOC1=O)OCC
InChIInChI=1S/C10H17O5P/c1-3-14-16(12,15-4-2)8-6-9-5-7-13-10(9)11/h6H,3-5,7-8H2,1-2H3/b9-6-
InChIKeyAYPNSTOFRQBPAC-TWGQIWQCSA-N
MW248.21 g/mol
LogP2.13
Rot. Bonds6

About (3Z)-3-(2-diethoxyphosphorylethylidene)oxolan-2-one

(3Z)-3-(2-diethoxyphosphorylethylidene)oxolan-2-one (PubChem CID 134995432) has the molecular formula C10H17O5P and a molecular weight of 248.21 g/mol. Its IUPAC name is (3Z)-3-(2-diethoxyphosphorylethylidene)oxolan-2-one.

Molecular Properties

Compound Name(3Z)-3-(2-diethoxyphosphorylethylidene)oxolan-2-one
PubChem CID134995432
Molecular FormulaC10H17O5P
Molecular Weight248.21 g/mol
Exact Mass248.08
IUPAC Name(3Z)-3-(2-diethoxyphosphorylethylidene)oxolan-2-one
SMILESCCOP(=O)(C/C=C1/CCOC1=O)OCC
InChIInChI=1S/C10H17O5P/c1-3-14-16(12,15-4-2)8-6-9-5-7-13-10(9)11/h6H,3-5,7-8H2,1-2H3/b9-6-
InChIKeyAYPNSTOFRQBPAC-TWGQIWQCSA-N
XLogP2.13
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (3Z)-3-(2-diethoxyphosphorylethylidene)oxolan-2-one 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 (3Z)-3-(2-diethoxyphosphorylethylidene)oxolan-2-one?
The IUPAC name of (3Z)-3-(2-diethoxyphosphorylethylidene)oxolan-2-one (CID 134995432) is (3Z)-3-(2-diethoxyphosphorylethylidene)oxolan-2-one.
What is the SMILES notation for (3Z)-3-(2-diethoxyphosphorylethylidene)oxolan-2-one?
The canonical SMILES for (3Z)-3-(2-diethoxyphosphorylethylidene)oxolan-2-one is CCOP(=O)(C/C=C1/CCOC1=O)OCC.
What is the InChIKey of (3Z)-3-(2-diethoxyphosphorylethylidene)oxolan-2-one?
The InChIKey is AYPNSTOFRQBPAC-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H17O5P/c1-3-14-16(12,15-4-2)8-6-9-5-7-13-10(9)11/h6H,3-5,7-8H2,1-2H3/b9-6-.
What are the key properties of (3Z)-3-(2-diethoxyphosphorylethylidene)oxolan-2-one?
(3Z)-3-(2-diethoxyphosphorylethylidene)oxolan-2-one has a molecular weight of 248.21 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(2-diethoxyphosphorylethylidene)oxolan-2-one is sourced from PubChem (CID 134995432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).