3-hydroxyiminopropoxy-oxo-propan-2-yloxyphosphanium

C6H13NO4P+ — CID 175912688

IUPAC3-hydroxyiminopropoxy-oxo-propan-2-yloxyphosphanium
SMILESCC(C)O[P+](=O)OCCC=NO
InChIInChI=1S/C6H12NO4P/c1-6(2)11-12(9)10-5-3-4-7-8/h4,6H,3,5H2,1-2H3/p+1
InChIKeyGNHHYIJPHVGZLC-UHFFFAOYSA-O
MW194.15 g/mol
LogP1.94
Rot. Bonds6

About 3-hydroxyiminopropoxy-oxo-propan-2-yloxyphosphanium

3-hydroxyiminopropoxy-oxo-propan-2-yloxyphosphanium (PubChem CID 175912688) has the molecular formula C6H13NO4P+ and a molecular weight of 194.15 g/mol. Its IUPAC name is 3-hydroxyiminopropoxy-oxo-propan-2-yloxyphosphanium.

Molecular Properties

Compound Name3-hydroxyiminopropoxy-oxo-propan-2-yloxyphosphanium
PubChem CID175912688
Molecular FormulaC6H13NO4P+
Molecular Weight194.15 g/mol
Exact Mass194.06
IUPAC Name3-hydroxyiminopropoxy-oxo-propan-2-yloxyphosphanium
SMILESCC(C)O[P+](=O)OCCC=NO
InChIInChI=1S/C6H12NO4P/c1-6(2)11-12(9)10-5-3-4-7-8/h4,6H,3,5H2,1-2H3/p+1
InChIKeyGNHHYIJPHVGZLC-UHFFFAOYSA-O
XLogP1.94
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxyiminopropoxy-oxo-propan-2-yloxyphosphanium?
The IUPAC name of 3-hydroxyiminopropoxy-oxo-propan-2-yloxyphosphanium (CID 175912688) is 3-hydroxyiminopropoxy-oxo-propan-2-yloxyphosphanium.
What is the SMILES notation for 3-hydroxyiminopropoxy-oxo-propan-2-yloxyphosphanium?
The canonical SMILES for 3-hydroxyiminopropoxy-oxo-propan-2-yloxyphosphanium is CC(C)O[P+](=O)OCCC=NO.
What is the InChIKey of 3-hydroxyiminopropoxy-oxo-propan-2-yloxyphosphanium?
The InChIKey is GNHHYIJPHVGZLC-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H12NO4P/c1-6(2)11-12(9)10-5-3-4-7-8/h4,6H,3,5H2,1-2H3/p+1.
What are the key properties of 3-hydroxyiminopropoxy-oxo-propan-2-yloxyphosphanium?
3-hydroxyiminopropoxy-oxo-propan-2-yloxyphosphanium has a molecular weight of 194.15 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxyiminopropoxy-oxo-propan-2-yloxyphosphanium is sourced from PubChem (CID 175912688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).