(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-methylphosphinic acid

C7H17O4P — CID 15461350

IUPAC(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-methylphosphinic acid
SMILESCC(C)(O)C(C)(C)OP(C)(=O)O
InChIInChI=1S/C7H17O4P/c1-6(2,8)7(3,4)11-12(5,9)10/h8H,1-5H3,(H,9,10)
InChIKeyDUZHBAJHNXZBSH-UHFFFAOYSA-N
MW196.18 g/mol
LogP1.37
Rot. Bonds3

About (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-methylphosphinic acid

(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-methylphosphinic acid (PubChem CID 15461350) has the molecular formula C7H17O4P and a molecular weight of 196.18 g/mol. Its IUPAC name is (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-methylphosphinic acid.

Molecular Properties

Compound Name(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-methylphosphinic acid
PubChem CID15461350
Molecular FormulaC7H17O4P
Molecular Weight196.18 g/mol
Exact Mass196.09
IUPAC Name(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-methylphosphinic acid
SMILESCC(C)(O)C(C)(C)OP(C)(=O)O
InChIInChI=1S/C7H17O4P/c1-6(2,8)7(3,4)11-12(5,9)10/h8H,1-5H3,(H,9,10)
InChIKeyDUZHBAJHNXZBSH-UHFFFAOYSA-N
XLogP1.37
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 51.37
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-2,3-dimethylbutan-2-yl)oxy-methylphosphinic acid?
The IUPAC name of (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-methylphosphinic acid (CID 15461350) is (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-methylphosphinic acid.
What is the SMILES notation for (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-methylphosphinic acid?
The canonical SMILES for (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-methylphosphinic acid is CC(C)(O)C(C)(C)OP(C)(=O)O.
What is the InChIKey of (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-methylphosphinic acid?
The InChIKey is DUZHBAJHNXZBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O4P/c1-6(2,8)7(3,4)11-12(5,9)10/h8H,1-5H3,(H,9,10).
What are the key properties of (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-methylphosphinic acid?
(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-methylphosphinic acid has a molecular weight of 196.18 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-methylphosphinic acid is sourced from PubChem (CID 15461350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).