(E)-4-diethoxyphosphorylpent-3-enoate

C9H16O5P- — CID 23615139

IUPAC(E)-4-diethoxyphosphorylpent-3-enoate
SMILESCCOP(=O)(OCC)/C(C)=C/CC(=O)[O-]
InChIInChI=1S/C9H17O5P/c1-4-13-15(12,14-5-2)8(3)6-7-9(10)11/h6H,4-5,7H2,1-3H3,(H,10,11)/p-1/b8-6+
InChIKeyMBZIFUXIKMQDOE-SOFGYWHQSA-M
MW235.20 g/mol
LogP1.30
Rot. Bonds7

About (E)-4-diethoxyphosphorylpent-3-enoate

(E)-4-diethoxyphosphorylpent-3-enoate (PubChem CID 23615139) has the molecular formula C9H16O5P- and a molecular weight of 235.20 g/mol. Its IUPAC name is (E)-4-diethoxyphosphorylpent-3-enoate.

Molecular Properties

Compound Name(E)-4-diethoxyphosphorylpent-3-enoate
PubChem CID23615139
Molecular FormulaC9H16O5P-
Molecular Weight235.20 g/mol
Exact Mass235.07
IUPAC Name(E)-4-diethoxyphosphorylpent-3-enoate
SMILESCCOP(=O)(OCC)/C(C)=C/CC(=O)[O-]
InChIInChI=1S/C9H17O5P/c1-4-13-15(12,14-5-2)8(3)6-7-9(10)11/h6H,4-5,7H2,1-3H3,(H,10,11)/p-1/b8-6+
InChIKeyMBZIFUXIKMQDOE-SOFGYWHQSA-M
XLogP1.30
TPSA75.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-4-diethoxyphosphorylpent-3-enoate 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

(E)-4-diethoxyphosphorylpent-3-en-2-one
CID 12505979
(E)-1,2-bis(diethoxyphosphoryl)prop-1-ene
CID 14294563
diethoxyphosphorylcarbonyl(trihydroxy)phosphanium
CID 57080631
(Z)-3-diethoxyphosphoryl-4-hydroxybut-3-en-2-one
CID 134922864
bis(diethoxyphosphoryl)methanimine
CID 87803281
(3E)-3-diethoxyphosphoryl-4-methylhexa-1,3-diene
CID 134988838
1-diethoxyphosphoryl-3-fluoropropan-1-one
CID 71349176
2,3-bis(diethoxyphosphoryl)buta-1,3-diene
CID 23364349
(E)-1,2-bis(diethoxyphosphoryl)-1,2-difluoroethene
CID 14115301
acetic acid;triethyl phosphate
CID 161446956
1-diethoxyphosphoryl-N-propan-2-ylethanimine
CID 151285044
3-diethoxyphosphoryl-2-methylprop-2-enoic acid
CID 71398288

Frequently Asked Questions

What is the IUPAC name of (E)-4-diethoxyphosphorylpent-3-enoate?
The IUPAC name of (E)-4-diethoxyphosphorylpent-3-enoate (CID 23615139) is (E)-4-diethoxyphosphorylpent-3-enoate.
What is the SMILES notation for (E)-4-diethoxyphosphorylpent-3-enoate?
The canonical SMILES for (E)-4-diethoxyphosphorylpent-3-enoate is CCOP(=O)(OCC)/C(C)=C/CC(=O)[O-].
What is the InChIKey of (E)-4-diethoxyphosphorylpent-3-enoate?
The InChIKey is MBZIFUXIKMQDOE-SOFGYWHQSA-M. The full InChI is InChI=1S/C9H17O5P/c1-4-13-15(12,14-5-2)8(3)6-7-9(10)11/h6H,4-5,7H2,1-3H3,(H,10,11)/p-1/b8-6+.
What are the key properties of (E)-4-diethoxyphosphorylpent-3-enoate?
(E)-4-diethoxyphosphorylpent-3-enoate has a molecular weight of 235.20 g/mol, XLogP of 1.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-diethoxyphosphorylpent-3-enoate is sourced from PubChem (CID 23615139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).