(3,3-dimethyl-2-oxobutyl)-hydroxy-oxophosphanium

C6H12O3P+ — CID 146504079

IUPAC(3,3-dimethyl-2-oxobutyl)-hydroxy-oxophosphanium
SMILESCC(C)(C)C(=O)C[P+](=O)O
InChIInChI=1S/C6H11O3P/c1-6(2,3)5(7)4-10(8)9/h4H2,1-3H3/p+1
InChIKeyIWZGULUXEVKRQA-UHFFFAOYSA-O
MW163.13 g/mol
LogP1.34
Rot. Bonds2

About (3,3-dimethyl-2-oxobutyl)-hydroxy-oxophosphanium

(3,3-dimethyl-2-oxobutyl)-hydroxy-oxophosphanium (PubChem CID 146504079) has the molecular formula C6H12O3P+ and a molecular weight of 163.13 g/mol. Its IUPAC name is (3,3-dimethyl-2-oxobutyl)-hydroxy-oxophosphanium.

Molecular Properties

Compound Name(3,3-dimethyl-2-oxobutyl)-hydroxy-oxophosphanium
PubChem CID146504079
Molecular FormulaC6H12O3P+
Molecular Weight163.13 g/mol
Exact Mass163.05
IUPAC Name(3,3-dimethyl-2-oxobutyl)-hydroxy-oxophosphanium
SMILESCC(C)(C)C(=O)C[P+](=O)O
InChIInChI=1S/C6H11O3P/c1-6(2,3)5(7)4-10(8)9/h4H2,1-3H3/p+1
InChIKeyIWZGULUXEVKRQA-UHFFFAOYSA-O
XLogP1.34
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 51.34
H-Bond Donors ≤ 51
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 (3,3-dimethyl-2-oxobutyl)-hydroxy-oxophosphanium?
The IUPAC name of (3,3-dimethyl-2-oxobutyl)-hydroxy-oxophosphanium (CID 146504079) is (3,3-dimethyl-2-oxobutyl)-hydroxy-oxophosphanium.
What is the SMILES notation for (3,3-dimethyl-2-oxobutyl)-hydroxy-oxophosphanium?
The canonical SMILES for (3,3-dimethyl-2-oxobutyl)-hydroxy-oxophosphanium is CC(C)(C)C(=O)C[P+](=O)O.
What is the InChIKey of (3,3-dimethyl-2-oxobutyl)-hydroxy-oxophosphanium?
The InChIKey is IWZGULUXEVKRQA-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H11O3P/c1-6(2,3)5(7)4-10(8)9/h4H2,1-3H3/p+1.
What are the key properties of (3,3-dimethyl-2-oxobutyl)-hydroxy-oxophosphanium?
(3,3-dimethyl-2-oxobutyl)-hydroxy-oxophosphanium has a molecular weight of 163.13 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethyl-2-oxobutyl)-hydroxy-oxophosphanium is sourced from PubChem (CID 146504079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).