bis(3-oxobutoxymethyl)phosphinic acid

C10H19O6P — CID 58925213

IUPACbis(3-oxobutoxymethyl)phosphinic acid
SMILESCC(=O)CCOCP(=O)(O)COCCC(C)=O
InChIInChI=1S/C10H19O6P/c1-9(11)3-5-15-7-17(13,14)8-16-6-4-10(2)12/h3-8H2,1-2H3,(H,13,14)
InChIKeyULVJUHUIXXDUEM-UHFFFAOYSA-N
MW266.23 g/mol
LogP1.16
Rot. Bonds10

About bis(3-oxobutoxymethyl)phosphinic acid

bis(3-oxobutoxymethyl)phosphinic acid (PubChem CID 58925213) has the molecular formula C10H19O6P and a molecular weight of 266.23 g/mol. Its IUPAC name is bis(3-oxobutoxymethyl)phosphinic acid.

Molecular Properties

Compound Namebis(3-oxobutoxymethyl)phosphinic acid
PubChem CID58925213
Molecular FormulaC10H19O6P
Molecular Weight266.23 g/mol
Exact Mass266.09
IUPAC Namebis(3-oxobutoxymethyl)phosphinic acid
SMILESCC(=O)CCOCP(=O)(O)COCCC(C)=O
InChIInChI=1S/C10H19O6P/c1-9(11)3-5-15-7-17(13,14)8-16-6-4-10(2)12/h3-8H2,1-2H3,(H,13,14)
InChIKeyULVJUHUIXXDUEM-UHFFFAOYSA-N
XLogP1.16
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-one
CID 71329199
4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 153276611
4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]butan-2-one
CID 170113917
4-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]butan-2-one
CID 59109167
4-[2-(2-ethoxyethoxy)ethoxy]butan-2-one
CID 90132734
3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]propanamide
CID 146640391
1-hydroxy-5-(3-oxobutoxy)pentan-3-one
CID 90975845
4-[2-[2-(methylamino)ethoxy]ethoxy]butan-2-one
CID 59450621
4-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 170145054
4-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 90086925
4-nonoxybutan-2-one
CID 175477614
ethoxymethyl-(3-methoxy-3-oxopropyl)phosphinic acid
CID 175420314

Frequently Asked Questions

What is the IUPAC name of bis(3-oxobutoxymethyl)phosphinic acid?
The IUPAC name of bis(3-oxobutoxymethyl)phosphinic acid (CID 58925213) is bis(3-oxobutoxymethyl)phosphinic acid.
What is the SMILES notation for bis(3-oxobutoxymethyl)phosphinic acid?
The canonical SMILES for bis(3-oxobutoxymethyl)phosphinic acid is CC(=O)CCOCP(=O)(O)COCCC(C)=O.
What is the InChIKey of bis(3-oxobutoxymethyl)phosphinic acid?
The InChIKey is ULVJUHUIXXDUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O6P/c1-9(11)3-5-15-7-17(13,14)8-16-6-4-10(2)12/h3-8H2,1-2H3,(H,13,14).
What are the key properties of bis(3-oxobutoxymethyl)phosphinic acid?
bis(3-oxobutoxymethyl)phosphinic acid has a molecular weight of 266.23 g/mol, XLogP of 1.16, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-oxobutoxymethyl)phosphinic acid is sourced from PubChem (CID 58925213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).