methyl(propyl)phosphinic acid

C4H11O2P — CID 10992780

IUPACmethyl(propyl)phosphinic acid
SMILESCCCP(C)(=O)O
InChIInChI=1S/C4H11O2P/c1-3-4-7(2,5)6/h3-4H2,1-2H3,(H,5,6)
InChIKeySZTJCIYEOQYVED-UHFFFAOYSA-N
MW122.10 g/mol
LogP1.30
Rot. Bonds2

About methyl(propyl)phosphinic acid

methyl(propyl)phosphinic acid (PubChem CID 10992780) has the molecular formula C4H11O2P and a molecular weight of 122.10 g/mol. Its IUPAC name is methyl(propyl)phosphinic acid.

Molecular Properties

Compound Namemethyl(propyl)phosphinic acid
PubChem CID10992780
Molecular FormulaC4H11O2P
Molecular Weight122.10 g/mol
Exact Mass122.05
IUPAC Namemethyl(propyl)phosphinic acid
SMILESCCCP(C)(=O)O
InChIInChI=1S/C4H11O2P/c1-3-4-7(2,5)6/h3-4H2,1-2H3,(H,5,6)
InChIKeySZTJCIYEOQYVED-UHFFFAOYSA-N
XLogP1.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.10
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl(propyl)phosphinic acid?
The IUPAC name of methyl(propyl)phosphinic acid (CID 10992780) is methyl(propyl)phosphinic acid.
What is the SMILES notation for methyl(propyl)phosphinic acid?
The canonical SMILES for methyl(propyl)phosphinic acid is CCCP(C)(=O)O.
What is the InChIKey of methyl(propyl)phosphinic acid?
The InChIKey is SZTJCIYEOQYVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O2P/c1-3-4-7(2,5)6/h3-4H2,1-2H3,(H,5,6).
What are the key properties of methyl(propyl)phosphinic acid?
methyl(propyl)phosphinic acid has a molecular weight of 122.10 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(propyl)phosphinic acid is sourced from PubChem (CID 10992780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).