hydroxy-(3-hydroxy-2,2-dimethylpropoxy)-oxophosphanium

C5H12O4P+ — CID 10654654

IUPAChydroxy-(3-hydroxy-2,2-dimethylpropoxy)-oxophosphanium
SMILESCC(C)(CO)CO[P+](=O)O
InChIInChI=1S/C5H11O4P/c1-5(2,3-6)4-9-10(7)8/h6H,3-4H2,1-2H3/p+1
InChIKeyJKPURJDYTHRJEB-UHFFFAOYSA-O
MW167.12 g/mol
LogP0.67
Rot. Bonds4

About hydroxy-(3-hydroxy-2,2-dimethylpropoxy)-oxophosphanium

hydroxy-(3-hydroxy-2,2-dimethylpropoxy)-oxophosphanium (PubChem CID 10654654) has the molecular formula C5H12O4P+ and a molecular weight of 167.12 g/mol. Its IUPAC name is hydroxy-(3-hydroxy-2,2-dimethylpropoxy)-oxophosphanium.

Molecular Properties

Compound Namehydroxy-(3-hydroxy-2,2-dimethylpropoxy)-oxophosphanium
PubChem CID10654654
Molecular FormulaC5H12O4P+
Molecular Weight167.12 g/mol
Exact Mass167.05
IUPAC Namehydroxy-(3-hydroxy-2,2-dimethylpropoxy)-oxophosphanium
SMILESCC(C)(CO)CO[P+](=O)O
InChIInChI=1S/C5H11O4P/c1-5(2,3-6)4-9-10(7)8/h6H,3-4H2,1-2H3/p+1
InChIKeyJKPURJDYTHRJEB-UHFFFAOYSA-O
XLogP0.67
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.12
LogP ≤ 50.67
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 hydroxy-(3-hydroxy-2,2-dimethylpropoxy)-oxophosphanium?
The IUPAC name of hydroxy-(3-hydroxy-2,2-dimethylpropoxy)-oxophosphanium (CID 10654654) is hydroxy-(3-hydroxy-2,2-dimethylpropoxy)-oxophosphanium.
What is the SMILES notation for hydroxy-(3-hydroxy-2,2-dimethylpropoxy)-oxophosphanium?
The canonical SMILES for hydroxy-(3-hydroxy-2,2-dimethylpropoxy)-oxophosphanium is CC(C)(CO)CO[P+](=O)O.
What is the InChIKey of hydroxy-(3-hydroxy-2,2-dimethylpropoxy)-oxophosphanium?
The InChIKey is JKPURJDYTHRJEB-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H11O4P/c1-5(2,3-6)4-9-10(7)8/h6H,3-4H2,1-2H3/p+1.
What are the key properties of hydroxy-(3-hydroxy-2,2-dimethylpropoxy)-oxophosphanium?
hydroxy-(3-hydroxy-2,2-dimethylpropoxy)-oxophosphanium has a molecular weight of 167.12 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(3-hydroxy-2,2-dimethylpropoxy)-oxophosphanium is sourced from PubChem (CID 10654654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).