butanoyloxy(methyl)phosphinic acid

C5H11O4P — CID 174651436

IUPACbutanoyloxy(methyl)phosphinic acid
SMILESCCCC(=O)OP(C)(=O)O
InChIInChI=1S/C5H11O4P/c1-3-4-5(6)9-10(2,7)8/h3-4H2,1-2H3,(H,7,8)
InChIKeyNYJCZOHDNYTYRB-UHFFFAOYSA-N
MW166.11 g/mol
LogP1.14
Rot. Bonds3

About butanoyloxy(methyl)phosphinic acid

butanoyloxy(methyl)phosphinic acid (PubChem CID 174651436) has the molecular formula C5H11O4P and a molecular weight of 166.11 g/mol. Its IUPAC name is butanoyloxy(methyl)phosphinic acid.

Molecular Properties

Compound Namebutanoyloxy(methyl)phosphinic acid
PubChem CID174651436
Molecular FormulaC5H11O4P
Molecular Weight166.11 g/mol
Exact Mass166.04
IUPAC Namebutanoyloxy(methyl)phosphinic acid
SMILESCCCC(=O)OP(C)(=O)O
InChIInChI=1S/C5H11O4P/c1-3-4-5(6)9-10(2,7)8/h3-4H2,1-2H3,(H,7,8)
InChIKeyNYJCZOHDNYTYRB-UHFFFAOYSA-N
XLogP1.14
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.11
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butanoyloxy(methyl)phosphinic acid?
The IUPAC name of butanoyloxy(methyl)phosphinic acid (CID 174651436) is butanoyloxy(methyl)phosphinic acid.
What is the SMILES notation for butanoyloxy(methyl)phosphinic acid?
The canonical SMILES for butanoyloxy(methyl)phosphinic acid is CCCC(=O)OP(C)(=O)O.
What is the InChIKey of butanoyloxy(methyl)phosphinic acid?
The InChIKey is NYJCZOHDNYTYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O4P/c1-3-4-5(6)9-10(2,7)8/h3-4H2,1-2H3,(H,7,8).
What are the key properties of butanoyloxy(methyl)phosphinic acid?
butanoyloxy(methyl)phosphinic acid has a molecular weight of 166.11 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butanoyloxy(methyl)phosphinic acid is sourced from PubChem (CID 174651436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).