methyl(prop-1-enoxy)phosphinic acid

C4H9O3P — CID 154509834

IUPACmethyl(prop-1-enoxy)phosphinic acid
SMILESCC=COP(C)(=O)O
InChIInChI=1S/C4H9O3P/c1-3-4-7-8(2,5)6/h3-4H,1-2H3,(H,5,6)
InChIKeyJTFBSBPJOLUOMP-UHFFFAOYSA-N
MW136.09 g/mol
LogP1.35
Rot. Bonds2

About methyl(prop-1-enoxy)phosphinic acid

methyl(prop-1-enoxy)phosphinic acid (PubChem CID 154509834) has the molecular formula C4H9O3P and a molecular weight of 136.09 g/mol. Its IUPAC name is methyl(prop-1-enoxy)phosphinic acid.

Molecular Properties

Compound Namemethyl(prop-1-enoxy)phosphinic acid
PubChem CID154509834
Molecular FormulaC4H9O3P
Molecular Weight136.09 g/mol
Exact Mass136.03
IUPAC Namemethyl(prop-1-enoxy)phosphinic acid
SMILESCC=COP(C)(=O)O
InChIInChI=1S/C4H9O3P/c1-3-4-7-8(2,5)6/h3-4H,1-2H3,(H,5,6)
InChIKeyJTFBSBPJOLUOMP-UHFFFAOYSA-N
XLogP1.35
TPSA46.53 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 ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze methyl(prop-1-enoxy)phosphinic acid 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

1-difluorophosphoryloxyprop-1-ene
CID 130422601
prop-1-enyl propyl hydrogen phosphate
CID 87732909
dilithium;prop-1-enyl phosphate
CID 177307945
1-[bromo(fluoro)phosphoryl]oxyprop-1-ene
CID 130422658
difluoro prop-1-enyl phosphate
CID 130422600
chloro bis(prop-1-enyl) phosphate
CID 130422739
[3-bis(prop-1-enoxy)phosphoryl-2,2-dimethylpropyl]phosphonic acid
CID 54278040
methylphosphonic acid;dihydrochloride
CID 87344491
phosphoric acid;prop-1-ene
CID 175586036
formaldehyde;bis(methyl dihydrogen phosphate)
CID 174780160
ethenyl(methoxy)phosphinic acid
CID 19693452
dibutyl [(E)-prop-1-enyl] phosphate
CID 5372398

Frequently Asked Questions

What is the IUPAC name of methyl(prop-1-enoxy)phosphinic acid?
The IUPAC name of methyl(prop-1-enoxy)phosphinic acid (CID 154509834) is methyl(prop-1-enoxy)phosphinic acid.
What is the SMILES notation for methyl(prop-1-enoxy)phosphinic acid?
The canonical SMILES for methyl(prop-1-enoxy)phosphinic acid is CC=COP(C)(=O)O.
What is the InChIKey of methyl(prop-1-enoxy)phosphinic acid?
The InChIKey is JTFBSBPJOLUOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O3P/c1-3-4-7-8(2,5)6/h3-4H,1-2H3,(H,5,6).
What are the key properties of methyl(prop-1-enoxy)phosphinic acid?
methyl(prop-1-enoxy)phosphinic acid has a molecular weight of 136.09 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(prop-1-enoxy)phosphinic acid is sourced from PubChem (CID 154509834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).