[ethyl(methyl)phosphoryl]formic acid

C4H9O3P — CID 87463056

IUPAC[ethyl(methyl)phosphoryl]formic acid
SMILESCCP(C)(=O)C(=O)O
InChIInChI=1S/C4H9O3P/c1-3-8(2,7)4(5)6/h3H2,1-2H3,(H,5,6)
InChIKeyHVXJTHKJWCEYEX-UHFFFAOYSA-N
MW136.09 g/mol
LogP1.68
Rot. Bonds2

About [ethyl(methyl)phosphoryl]formic acid

[ethyl(methyl)phosphoryl]formic acid (PubChem CID 87463056) has the molecular formula C4H9O3P and a molecular weight of 136.09 g/mol. Its IUPAC name is [ethyl(methyl)phosphoryl]formic acid.

Molecular Properties

Compound Name[ethyl(methyl)phosphoryl]formic acid
PubChem CID87463056
Molecular FormulaC4H9O3P
Molecular Weight136.09 g/mol
Exact Mass136.03
IUPAC Name[ethyl(methyl)phosphoryl]formic acid
SMILESCCP(C)(=O)C(=O)O
InChIInChI=1S/C4H9O3P/c1-3-8(2,7)4(5)6/h3H2,1-2H3,(H,5,6)
InChIKeyHVXJTHKJWCEYEX-UHFFFAOYSA-N
XLogP1.68
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.09
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[butyl(propyl)phosphoryl]formic acid
CID 87461949
carbonic acid;propane
CID 87396872
diethylphosphinic acid
CID 123698390
ethylphosphonic acid;phosphoric acid
CID 87124135
ethene;propanoic acid
CID 158726825
ethylphosphonic acid;zirconium
CID 161117919
cyclobutane;ethylphosphonic acid;propane;propanoic acid
CID 158645124
3-(dimethylamino)-3-methyl-2-methylidenepentanoic acid
CID 54416326
acetic acid;phosphoric acid;propanoic acid
CID 162090044
3,3-dichloro-2-methylidenebutanoic acid
CID 19901725
3-[ethyl(hydroxy)phosphoryl]propanoic acid
CID 19011064
butan-2-ylphosphonic acid;phosphonoformic acid
CID 159567547

Frequently Asked Questions

What is the IUPAC name of [ethyl(methyl)phosphoryl]formic acid?
The IUPAC name of [ethyl(methyl)phosphoryl]formic acid (CID 87463056) is [ethyl(methyl)phosphoryl]formic acid.
What is the SMILES notation for [ethyl(methyl)phosphoryl]formic acid?
The canonical SMILES for [ethyl(methyl)phosphoryl]formic acid is CCP(C)(=O)C(=O)O.
What is the InChIKey of [ethyl(methyl)phosphoryl]formic acid?
The InChIKey is HVXJTHKJWCEYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O3P/c1-3-8(2,7)4(5)6/h3H2,1-2H3,(H,5,6).
What are the key properties of [ethyl(methyl)phosphoryl]formic acid?
[ethyl(methyl)phosphoryl]formic acid has a molecular weight of 136.09 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl(methyl)phosphoryl]formic acid is sourced from PubChem (CID 87463056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).