hydroxy-(1-methoxyimino-2-methylpropan-2-yl)oxy-oxophosphanium

C5H11NO4P+ — CID 88631798

IUPAChydroxy-(1-methoxyimino-2-methylpropan-2-yl)oxy-oxophosphanium
SMILESCON=CC(C)(C)O[P+](=O)O
InChIInChI=1S/C5H10NO4P/c1-5(2,4-6-9-3)10-11(7)8/h4H,1-3H3/p+1
InChIKeyNONAEWQBXONNSA-UHFFFAOYSA-O
MW180.12 g/mol
LogP1.06
Rot. Bonds4

About hydroxy-(1-methoxyimino-2-methylpropan-2-yl)oxy-oxophosphanium

hydroxy-(1-methoxyimino-2-methylpropan-2-yl)oxy-oxophosphanium (PubChem CID 88631798) has the molecular formula C5H11NO4P+ and a molecular weight of 180.12 g/mol. Its IUPAC name is hydroxy-(1-methoxyimino-2-methylpropan-2-yl)oxy-oxophosphanium.

Molecular Properties

Compound Namehydroxy-(1-methoxyimino-2-methylpropan-2-yl)oxy-oxophosphanium
PubChem CID88631798
Molecular FormulaC5H11NO4P+
Molecular Weight180.12 g/mol
Exact Mass180.04
IUPAC Namehydroxy-(1-methoxyimino-2-methylpropan-2-yl)oxy-oxophosphanium
SMILESCON=CC(C)(C)O[P+](=O)O
InChIInChI=1S/C5H10NO4P/c1-5(2,4-6-9-3)10-11(7)8/h4H,1-3H3/p+1
InChIKeyNONAEWQBXONNSA-UHFFFAOYSA-O
XLogP1.06
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.12
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze hydroxy-(1-methoxyimino-2-methylpropan-2-yl)oxy-oxophosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of hydroxy-(1-methoxyimino-2-methylpropan-2-yl)oxy-oxophosphanium?
The IUPAC name of hydroxy-(1-methoxyimino-2-methylpropan-2-yl)oxy-oxophosphanium (CID 88631798) is hydroxy-(1-methoxyimino-2-methylpropan-2-yl)oxy-oxophosphanium.
What is the SMILES notation for hydroxy-(1-methoxyimino-2-methylpropan-2-yl)oxy-oxophosphanium?
The canonical SMILES for hydroxy-(1-methoxyimino-2-methylpropan-2-yl)oxy-oxophosphanium is CON=CC(C)(C)O[P+](=O)O.
What is the InChIKey of hydroxy-(1-methoxyimino-2-methylpropan-2-yl)oxy-oxophosphanium?
The InChIKey is NONAEWQBXONNSA-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H10NO4P/c1-5(2,4-6-9-3)10-11(7)8/h4H,1-3H3/p+1.
What are the key properties of hydroxy-(1-methoxyimino-2-methylpropan-2-yl)oxy-oxophosphanium?
hydroxy-(1-methoxyimino-2-methylpropan-2-yl)oxy-oxophosphanium has a molecular weight of 180.12 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(1-methoxyimino-2-methylpropan-2-yl)oxy-oxophosphanium is sourced from PubChem (CID 88631798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).