2-methyl-1,3,2-dioxaphosphetane

C2H5O2P — CID 54570316

IUPAC2-methyl-1,3,2-dioxaphosphetane
SMILESCP1OCO1
InChIInChI=1S/C2H5O2P/c1-5-3-2-4-5/h2H2,1H3
InChIKeyZWUFOIRQLMCHQC-UHFFFAOYSA-N
MW92.03 g/mol
LogP0.93
Rot. Bonds

About 2-methyl-1,3,2-dioxaphosphetane

2-methyl-1,3,2-dioxaphosphetane (PubChem CID 54570316) has the molecular formula C2H5O2P and a molecular weight of 92.03 g/mol. Its IUPAC name is 2-methyl-1,3,2-dioxaphosphetane.

Molecular Properties

Compound Name2-methyl-1,3,2-dioxaphosphetane
PubChem CID54570316
Molecular FormulaC2H5O2P
Molecular Weight92.03 g/mol
Exact Mass92.00
IUPAC Name2-methyl-1,3,2-dioxaphosphetane
SMILESCP1OCO1
InChIInChI=1S/C2H5O2P/c1-5-3-2-4-5/h2H2,1H3
InChIKeyZWUFOIRQLMCHQC-UHFFFAOYSA-N
XLogP0.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.03
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-1,3,2-dioxaphosphetane 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 2-methyl-1,3,2-dioxaphosphetane?
The IUPAC name of 2-methyl-1,3,2-dioxaphosphetane (CID 54570316) is 2-methyl-1,3,2-dioxaphosphetane.
What is the SMILES notation for 2-methyl-1,3,2-dioxaphosphetane?
The canonical SMILES for 2-methyl-1,3,2-dioxaphosphetane is CP1OCO1.
What is the InChIKey of 2-methyl-1,3,2-dioxaphosphetane?
The InChIKey is ZWUFOIRQLMCHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5O2P/c1-5-3-2-4-5/h2H2,1H3.
What are the key properties of 2-methyl-1,3,2-dioxaphosphetane?
2-methyl-1,3,2-dioxaphosphetane has a molecular weight of 92.03 g/mol, XLogP of 0.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3,2-dioxaphosphetane is sourced from PubChem (CID 54570316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).