hydroxy-(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-oxophosphanium

C6H14O4P+ — CID 121482172

IUPAChydroxy-(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-oxophosphanium
SMILESCC(C)(O)C(C)(C)O[P+](=O)O
InChIInChI=1S/C6H13O4P/c1-5(2,7)6(3,4)10-11(8)9/h7H,1-4H3/p+1
InChIKeyBNJGDGRHJLSVCT-UHFFFAOYSA-O
MW181.15 g/mol
LogP1.20
Rot. Bonds3

About hydroxy-(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-oxophosphanium

hydroxy-(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-oxophosphanium (PubChem CID 121482172) has the molecular formula C6H14O4P+ and a molecular weight of 181.15 g/mol. Its IUPAC name is hydroxy-(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-oxophosphanium.

Molecular Properties

Compound Namehydroxy-(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-oxophosphanium
PubChem CID121482172
Molecular FormulaC6H14O4P+
Molecular Weight181.15 g/mol
Exact Mass181.06
IUPAC Namehydroxy-(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-oxophosphanium
SMILESCC(C)(O)C(C)(C)O[P+](=O)O
InChIInChI=1S/C6H13O4P/c1-5(2,7)6(3,4)10-11(8)9/h7H,1-4H3/p+1
InChIKeyBNJGDGRHJLSVCT-UHFFFAOYSA-O
XLogP1.20
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.15
LogP ≤ 51.20
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-2,3-dimethylbutan-2-yl)oxy-oxophosphanium?
The IUPAC name of hydroxy-(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-oxophosphanium (CID 121482172) is hydroxy-(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-oxophosphanium.
What is the SMILES notation for hydroxy-(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-oxophosphanium?
The canonical SMILES for hydroxy-(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-oxophosphanium is CC(C)(O)C(C)(C)O[P+](=O)O.
What is the InChIKey of hydroxy-(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-oxophosphanium?
The InChIKey is BNJGDGRHJLSVCT-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H13O4P/c1-5(2,7)6(3,4)10-11(8)9/h7H,1-4H3/p+1.
What are the key properties of hydroxy-(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-oxophosphanium?
hydroxy-(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-oxophosphanium has a molecular weight of 181.15 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-oxophosphanium is sourced from PubChem (CID 121482172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).