4-diethoxyphosphoryl-1-hydroxybutan-2-one

C8H17O5P — CID 11009594

IUPAC4-diethoxyphosphoryl-1-hydroxybutan-2-one
SMILESCCOP(=O)(CCC(=O)CO)OCC
InChIInChI=1S/C8H17O5P/c1-3-12-14(11,13-4-2)6-5-8(10)7-9/h9H,3-7H2,1-2H3
InChIKeyIVHYGOXGWIXNAJ-UHFFFAOYSA-N
MW224.19 g/mol
LogP1.20
Rot. Bonds8

About 4-diethoxyphosphoryl-1-hydroxybutan-2-one

4-diethoxyphosphoryl-1-hydroxybutan-2-one (PubChem CID 11009594) has the molecular formula C8H17O5P and a molecular weight of 224.19 g/mol. Its IUPAC name is 4-diethoxyphosphoryl-1-hydroxybutan-2-one.

Molecular Properties

Compound Name4-diethoxyphosphoryl-1-hydroxybutan-2-one
PubChem CID11009594
Molecular FormulaC8H17O5P
Molecular Weight224.19 g/mol
Exact Mass224.08
IUPAC Name4-diethoxyphosphoryl-1-hydroxybutan-2-one
SMILESCCOP(=O)(CCC(=O)CO)OCC
InChIInChI=1S/C8H17O5P/c1-3-12-14(11,13-4-2)6-5-8(10)7-9/h9H,3-7H2,1-2H3
InChIKeyIVHYGOXGWIXNAJ-UHFFFAOYSA-N
XLogP1.20
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,5-bis(diethoxyphosphoryl)pentan-3-one
CID 12030147
6-diethoxyphosphorylhexan-3-one
CID 91326618
ethyl 3-(3-diethoxyphosphorylpropanoyloxy)propanoate
CID 131843980
8-diethoxyphosphoryloctan-1-ol
CID 10515886
13-diethoxyphosphoryltridecanoic acid
CID 87637864
11-diethoxyphosphorylundecanoic acid
CID 45158998
sodium diethoxyphosphorylmethanol
CID 22274944
ethyl 5-diethoxyphosphorylpentanoate
CID 2773707
4-diethoxyphosphorylbutanehydrazide
CID 156632548
5-diethoxyphosphoryl-2-methylpent-1-ene
CID 11345027
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 138625033
3-diethoxyphosphoryl-1-(4-ethylphenyl)propan-1-one
CID 15273785

Frequently Asked Questions

What is the IUPAC name of 4-diethoxyphosphoryl-1-hydroxybutan-2-one?
The IUPAC name of 4-diethoxyphosphoryl-1-hydroxybutan-2-one (CID 11009594) is 4-diethoxyphosphoryl-1-hydroxybutan-2-one.
What is the SMILES notation for 4-diethoxyphosphoryl-1-hydroxybutan-2-one?
The canonical SMILES for 4-diethoxyphosphoryl-1-hydroxybutan-2-one is CCOP(=O)(CCC(=O)CO)OCC.
What is the InChIKey of 4-diethoxyphosphoryl-1-hydroxybutan-2-one?
The InChIKey is IVHYGOXGWIXNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O5P/c1-3-12-14(11,13-4-2)6-5-8(10)7-9/h9H,3-7H2,1-2H3.
What are the key properties of 4-diethoxyphosphoryl-1-hydroxybutan-2-one?
4-diethoxyphosphoryl-1-hydroxybutan-2-one has a molecular weight of 224.19 g/mol, XLogP of 1.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diethoxyphosphoryl-1-hydroxybutan-2-one is sourced from PubChem (CID 11009594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).