3-hydroxyiminopropoxy-(2-methylpropoxy)-oxophosphanium

C7H15NO4P+ — CID 175557815

IUPAC3-hydroxyiminopropoxy-(2-methylpropoxy)-oxophosphanium
SMILESCC(C)CO[P+](=O)OCCC=NO
InChIInChI=1S/C7H14NO4P/c1-7(2)6-12-13(10)11-5-3-4-8-9/h4,7H,3,5-6H2,1-2H3/p+1
InChIKeyNCEVMHLOJIYZCZ-UHFFFAOYSA-O
MW208.17 g/mol
LogP2.18
Rot. Bonds7

About 3-hydroxyiminopropoxy-(2-methylpropoxy)-oxophosphanium

3-hydroxyiminopropoxy-(2-methylpropoxy)-oxophosphanium (PubChem CID 175557815) has the molecular formula C7H15NO4P+ and a molecular weight of 208.17 g/mol. Its IUPAC name is 3-hydroxyiminopropoxy-(2-methylpropoxy)-oxophosphanium.

Molecular Properties

Compound Name3-hydroxyiminopropoxy-(2-methylpropoxy)-oxophosphanium
PubChem CID175557815
Molecular FormulaC7H15NO4P+
Molecular Weight208.17 g/mol
Exact Mass208.07
IUPAC Name3-hydroxyiminopropoxy-(2-methylpropoxy)-oxophosphanium
SMILESCC(C)CO[P+](=O)OCCC=NO
InChIInChI=1S/C7H14NO4P/c1-7(2)6-12-13(10)11-5-3-4-8-9/h4,7H,3,5-6H2,1-2H3/p+1
InChIKeyNCEVMHLOJIYZCZ-UHFFFAOYSA-O
XLogP2.18
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 52.18
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'}

Analyze 3-hydroxyiminopropoxy-(2-methylpropoxy)-oxophosphanium with MolForge

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

Launch Full Analysis

Related Compounds

CID 13204159
CID 13204159
CID 11052878
CID 11052878
CID 129815734
CID 129815734
CID 59073323
CID 59073323
CID 71335397
CID 71335397
CID 88631798
CID 88631798
CID 140555804
CID 140555804
CID 146347071
CID 146347071
CID 159483209
CID 159483209
CID 169084663
CID 169084663
CID 169084667
CID 169084667
CID 169084683
CID 169084683

Frequently Asked Questions

What is the IUPAC name of 3-hydroxyiminopropoxy-(2-methylpropoxy)-oxophosphanium?
The IUPAC name of 3-hydroxyiminopropoxy-(2-methylpropoxy)-oxophosphanium (CID 175557815) is 3-hydroxyiminopropoxy-(2-methylpropoxy)-oxophosphanium.
What is the SMILES notation for 3-hydroxyiminopropoxy-(2-methylpropoxy)-oxophosphanium?
The canonical SMILES for 3-hydroxyiminopropoxy-(2-methylpropoxy)-oxophosphanium is CC(C)CO[P+](=O)OCCC=NO.
What is the InChIKey of 3-hydroxyiminopropoxy-(2-methylpropoxy)-oxophosphanium?
The InChIKey is NCEVMHLOJIYZCZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H14NO4P/c1-7(2)6-12-13(10)11-5-3-4-8-9/h4,7H,3,5-6H2,1-2H3/p+1.
What are the key properties of 3-hydroxyiminopropoxy-(2-methylpropoxy)-oxophosphanium?
3-hydroxyiminopropoxy-(2-methylpropoxy)-oxophosphanium has a molecular weight of 208.17 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxyiminopropoxy-(2-methylpropoxy)-oxophosphanium is sourced from PubChem (CID 175557815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).