ethoxy-methyl-oxophosphanium

C3H8O2P+ — CID 6328184

IUPACethoxy-methyl-oxophosphanium
SMILESCCO[P+](C)=O
InChIInChI=1S/C3H8O2P/c1-3-5-6(2)4/h3H2,1-2H3/q+1
InChIKeyAGWPTXYSXUNKLV-UHFFFAOYSA-N
MW107.07 g/mol
LogP1.40
Rot. Bonds2

About ethoxy-methyl-oxophosphanium

ethoxy-methyl-oxophosphanium (PubChem CID 6328184) has the molecular formula C3H8O2P+ and a molecular weight of 107.07 g/mol. Its IUPAC name is ethoxy-methyl-oxophosphanium.

Molecular Properties

Compound Nameethoxy-methyl-oxophosphanium
PubChem CID6328184
Molecular FormulaC3H8O2P+
Molecular Weight107.07 g/mol
Exact Mass107.03
IUPAC Nameethoxy-methyl-oxophosphanium
SMILESCCO[P+](C)=O
InChIInChI=1S/C3H8O2P/c1-3-5-6(2)4/h3H2,1-2H3/q+1
InChIKeyAGWPTXYSXUNKLV-UHFFFAOYSA-N
XLogP1.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.07
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze ethoxy-methyl-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

Triethyl Phosphate
CID 6535
Diethyl hydrogen phosphite
CID 6327654
Diethyl chlorophosphate
CID 13139
Ethyl methylphosphonate
CID 449085
Diethyl ethylphosphonate
CID 6534
Diethyl methylphosphonate
CID 12685
Diethyl methylphosphonite
CID 85063
Ethyl phosphate(2-)
CID 12691392
Ethyl methyl ethylphosphonate
CID 79183
Butyl methylphosphinate
CID 10877172
Diethyl (iodomethyl)phosphonate
CID 82616
Diethyl phosphoric acid
CID 5166299

Frequently Asked Questions

What is the IUPAC name of ethoxy-methyl-oxophosphanium?
The IUPAC name of ethoxy-methyl-oxophosphanium (CID 6328184) is ethoxy-methyl-oxophosphanium.
What is the SMILES notation for ethoxy-methyl-oxophosphanium?
The canonical SMILES for ethoxy-methyl-oxophosphanium is CCO[P+](C)=O.
What is the InChIKey of ethoxy-methyl-oxophosphanium?
The InChIKey is AGWPTXYSXUNKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2P/c1-3-5-6(2)4/h3H2,1-2H3/q+1.
What are the key properties of ethoxy-methyl-oxophosphanium?
ethoxy-methyl-oxophosphanium has a molecular weight of 107.07 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-methyl-oxophosphanium is sourced from PubChem (CID 6328184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).