dihydroxy(oxo)phosphanium;2-[methyl(propan-2-yl)amino]ethanol

C6H17NO4P+ — CID 22160999

IUPACdihydroxy(oxo)phosphanium;2-[methyl(propan-2-yl)amino]ethanol
SMILESCC(C)N(C)CCO.O=[P+](O)O
InChIInChI=1S/C6H15NO.HO3P/c1-6(2)7(3)4-5-8;1-4(2)3/h6,8H,4-5H2,1-3H3;(H-,1,2,3)/p+1
InChIKeyAGQHFLVSAVSDFS-UHFFFAOYSA-O
MW198.18 g/mol
LogP-0.05
Rot. Bonds3

About dihydroxy(oxo)phosphanium;2-[methyl(propan-2-yl)amino]ethanol

dihydroxy(oxo)phosphanium;2-[methyl(propan-2-yl)amino]ethanol (PubChem CID 22160999) has the molecular formula C6H17NO4P+ and a molecular weight of 198.18 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;2-[methyl(propan-2-yl)amino]ethanol.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;2-[methyl(propan-2-yl)amino]ethanol
PubChem CID22160999
Molecular FormulaC6H17NO4P+
Molecular Weight198.18 g/mol
Exact Mass198.09
IUPAC Namedihydroxy(oxo)phosphanium;2-[methyl(propan-2-yl)amino]ethanol
SMILESCC(C)N(C)CCO.O=[P+](O)O
InChIInChI=1S/C6H15NO.HO3P/c1-6(2)7(3)4-5-8;1-4(2)3/h6,8H,4-5H2,1-3H3;(H-,1,2,3)/p+1
InChIKeyAGQHFLVSAVSDFS-UHFFFAOYSA-O
XLogP-0.05
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
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 dihydroxy(oxo)phosphanium;2-[methyl(propan-2-yl)amino]ethanol?
The IUPAC name of dihydroxy(oxo)phosphanium;2-[methyl(propan-2-yl)amino]ethanol (CID 22160999) is dihydroxy(oxo)phosphanium;2-[methyl(propan-2-yl)amino]ethanol.
What is the SMILES notation for dihydroxy(oxo)phosphanium;2-[methyl(propan-2-yl)amino]ethanol?
The canonical SMILES for dihydroxy(oxo)phosphanium;2-[methyl(propan-2-yl)amino]ethanol is CC(C)N(C)CCO.O=[P+](O)O.
What is the InChIKey of dihydroxy(oxo)phosphanium;2-[methyl(propan-2-yl)amino]ethanol?
The InChIKey is AGQHFLVSAVSDFS-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H15NO.HO3P/c1-6(2)7(3)4-5-8;1-4(2)3/h6,8H,4-5H2,1-3H3;(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;2-[methyl(propan-2-yl)amino]ethanol?
dihydroxy(oxo)phosphanium;2-[methyl(propan-2-yl)amino]ethanol has a molecular weight of 198.18 g/mol, XLogP of -0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;2-[methyl(propan-2-yl)amino]ethanol is sourced from PubChem (CID 22160999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).