2-carboxypropan-2-yl-hydroxy-oxophosphanium

C4H8O4P+ — CID 14366328

IUPAC2-carboxypropan-2-yl-hydroxy-oxophosphanium
SMILESCC(C)(C(=O)O)[P+](=O)O
InChIInChI=1S/C4H7O4P/c1-4(2,3(5)6)9(7)8/h1-2H3,(H-,5,6,7,8)/p+1
InChIKeyIXWKQBWWBKYUGG-UHFFFAOYSA-O
MW151.08 g/mol
LogP0.58
Rot. Bonds2

About 2-carboxypropan-2-yl-hydroxy-oxophosphanium

2-carboxypropan-2-yl-hydroxy-oxophosphanium (PubChem CID 14366328) has the molecular formula C4H8O4P+ and a molecular weight of 151.08 g/mol. Its IUPAC name is 2-carboxypropan-2-yl-hydroxy-oxophosphanium.

Molecular Properties

Compound Name2-carboxypropan-2-yl-hydroxy-oxophosphanium
PubChem CID14366328
Molecular FormulaC4H8O4P+
Molecular Weight151.08 g/mol
Exact Mass151.02
IUPAC Name2-carboxypropan-2-yl-hydroxy-oxophosphanium
SMILESCC(C)(C(=O)O)[P+](=O)O
InChIInChI=1S/C4H7O4P/c1-4(2,3(5)6)9(7)8/h1-2H3,(H-,5,6,7,8)/p+1
InChIKeyIXWKQBWWBKYUGG-UHFFFAOYSA-O
XLogP0.58
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.08
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-carboxypropan-2-yl-hydroxy-oxophosphanium?
The IUPAC name of 2-carboxypropan-2-yl-hydroxy-oxophosphanium (CID 14366328) is 2-carboxypropan-2-yl-hydroxy-oxophosphanium.
What is the SMILES notation for 2-carboxypropan-2-yl-hydroxy-oxophosphanium?
The canonical SMILES for 2-carboxypropan-2-yl-hydroxy-oxophosphanium is CC(C)(C(=O)O)[P+](=O)O.
What is the InChIKey of 2-carboxypropan-2-yl-hydroxy-oxophosphanium?
The InChIKey is IXWKQBWWBKYUGG-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H7O4P/c1-4(2,3(5)6)9(7)8/h1-2H3,(H-,5,6,7,8)/p+1.
What are the key properties of 2-carboxypropan-2-yl-hydroxy-oxophosphanium?
2-carboxypropan-2-yl-hydroxy-oxophosphanium has a molecular weight of 151.08 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxypropan-2-yl-hydroxy-oxophosphanium is sourced from PubChem (CID 14366328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).