(3-hydroxy-2,2-dimethylpropoxy)-methylphosphinic acid

C6H15O4P — CID 22733644

IUPAC(3-hydroxy-2,2-dimethylpropoxy)-methylphosphinic acid
SMILESCC(C)(CO)COP(C)(=O)O
InChIInChI=1S/C6H15O4P/c1-6(2,4-7)5-10-11(3,8)9/h7H,4-5H2,1-3H3,(H,8,9)
InChIKeyHVDGSUAWSHXJEW-UHFFFAOYSA-N
MW182.16 g/mol
LogP0.84
Rot. Bonds4

About (3-hydroxy-2,2-dimethylpropoxy)-methylphosphinic acid

(3-hydroxy-2,2-dimethylpropoxy)-methylphosphinic acid (PubChem CID 22733644) has the molecular formula C6H15O4P and a molecular weight of 182.16 g/mol. Its IUPAC name is (3-hydroxy-2,2-dimethylpropoxy)-methylphosphinic acid.

Molecular Properties

Compound Name(3-hydroxy-2,2-dimethylpropoxy)-methylphosphinic acid
PubChem CID22733644
Molecular FormulaC6H15O4P
Molecular Weight182.16 g/mol
Exact Mass182.07
IUPAC Name(3-hydroxy-2,2-dimethylpropoxy)-methylphosphinic acid
SMILESCC(C)(CO)COP(C)(=O)O
InChIInChI=1S/C6H15O4P/c1-6(2,4-7)5-10-11(3,8)9/h7H,4-5H2,1-3H3,(H,8,9)
InChIKeyHVDGSUAWSHXJEW-UHFFFAOYSA-N
XLogP0.84
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.16
LogP ≤ 50.84
H-Bond Donors ≤ 52
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 (3-hydroxy-2,2-dimethylpropoxy)-methylphosphinic acid?
The IUPAC name of (3-hydroxy-2,2-dimethylpropoxy)-methylphosphinic acid (CID 22733644) is (3-hydroxy-2,2-dimethylpropoxy)-methylphosphinic acid.
What is the SMILES notation for (3-hydroxy-2,2-dimethylpropoxy)-methylphosphinic acid?
The canonical SMILES for (3-hydroxy-2,2-dimethylpropoxy)-methylphosphinic acid is CC(C)(CO)COP(C)(=O)O.
What is the InChIKey of (3-hydroxy-2,2-dimethylpropoxy)-methylphosphinic acid?
The InChIKey is HVDGSUAWSHXJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O4P/c1-6(2,4-7)5-10-11(3,8)9/h7H,4-5H2,1-3H3,(H,8,9).
What are the key properties of (3-hydroxy-2,2-dimethylpropoxy)-methylphosphinic acid?
(3-hydroxy-2,2-dimethylpropoxy)-methylphosphinic acid has a molecular weight of 182.16 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2,2-dimethylpropoxy)-methylphosphinic acid is sourced from PubChem (CID 22733644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).