ethyl 3-diethoxyphosphoryl-2-hydroxybutanoate

C10H21O6P — CID 23420452

IUPACethyl 3-diethoxyphosphoryl-2-hydroxybutanoate
SMILESCCOC(=O)C(O)C(C)P(=O)(OCC)OCC
InChIInChI=1S/C10H21O6P/c1-5-14-10(12)9(11)8(4)17(13,15-6-2)16-7-3/h8-9,11H,5-7H2,1-4H3
InChIKeyKHEZHGQCLOTUED-UHFFFAOYSA-N
MW268.25 g/mol
LogP1.57
Rot. Bonds8

About ethyl 3-diethoxyphosphoryl-2-hydroxybutanoate

ethyl 3-diethoxyphosphoryl-2-hydroxybutanoate (PubChem CID 23420452) has the molecular formula C10H21O6P and a molecular weight of 268.25 g/mol. Its IUPAC name is ethyl 3-diethoxyphosphoryl-2-hydroxybutanoate.

Molecular Properties

Compound Nameethyl 3-diethoxyphosphoryl-2-hydroxybutanoate
PubChem CID23420452
Molecular FormulaC10H21O6P
Molecular Weight268.25 g/mol
Exact Mass268.11
IUPAC Nameethyl 3-diethoxyphosphoryl-2-hydroxybutanoate
SMILESCCOC(=O)C(O)C(C)P(=O)(OCC)OCC
InChIInChI=1S/C10H21O6P/c1-5-14-10(12)9(11)8(4)17(13,15-6-2)16-7-3/h8-9,11H,5-7H2,1-4H3
InChIKeyKHEZHGQCLOTUED-UHFFFAOYSA-N
XLogP1.57
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 3-diethoxyphosphoryl-2-hydroxybutanoate 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

(2R,3S)-3-diethoxyphosphorylbutan-2-ol
CID 11031085
ethyl (2S,3R)-3-diethoxyphosphoryl-2-hydroxyheptanoate
CID 23238044
ethyl (2S,3S)-2-hydroxy-3-methyl-4-oxopentanoate
CID 124636599
ethyl (2S)-2-diethoxyphosphoryl-3-oxobutanoate
CID 98182463
ethyl (2R)-2-diethoxyphosphorylpentanoate
CID 6992997
diethyl (2S,3R)-2-hydroxy-3-methylbutanedioate
CID 2192560
diethyl (2S,3S)-2-hydroxy-3-methylbutanedioate
CID 2192559
(1S)-1-diethoxyphosphoryl-3-methylbutan-1-ol
CID 10944092
ethyl 3-dibutoxyphosphorylbutanoate
CID 172832682
1-diethoxyphosphorylethanamine
CID 5149858
1-diethoxyphosphoryl-3-methylbutan-1-amine;oxalic acid
CID 12635018
butyl (2S)-2-butoxy-2-diethoxyphosphorylacetate
CID 90756481

Frequently Asked Questions

What is the IUPAC name of ethyl 3-diethoxyphosphoryl-2-hydroxybutanoate?
The IUPAC name of ethyl 3-diethoxyphosphoryl-2-hydroxybutanoate (CID 23420452) is ethyl 3-diethoxyphosphoryl-2-hydroxybutanoate.
What is the SMILES notation for ethyl 3-diethoxyphosphoryl-2-hydroxybutanoate?
The canonical SMILES for ethyl 3-diethoxyphosphoryl-2-hydroxybutanoate is CCOC(=O)C(O)C(C)P(=O)(OCC)OCC.
What is the InChIKey of ethyl 3-diethoxyphosphoryl-2-hydroxybutanoate?
The InChIKey is KHEZHGQCLOTUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O6P/c1-5-14-10(12)9(11)8(4)17(13,15-6-2)16-7-3/h8-9,11H,5-7H2,1-4H3.
What are the key properties of ethyl 3-diethoxyphosphoryl-2-hydroxybutanoate?
ethyl 3-diethoxyphosphoryl-2-hydroxybutanoate has a molecular weight of 268.25 g/mol, XLogP of 1.57, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-diethoxyphosphoryl-2-hydroxybutanoate is sourced from PubChem (CID 23420452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).