2-methoxy-1,3,2-dioxaphosphetane

C2H5O3P — CID 22949604

IUPAC2-methoxy-1,3,2-dioxaphosphetane
SMILESCOP1OCO1
InChIInChI=1S/C2H5O3P/c1-3-6-4-2-5-6/h2H2,1H3
InChIKeyVVAQKYDHGCNNAH-UHFFFAOYSA-N
MW108.03 g/mol
LogP0.86
Rot. Bonds1

About 2-methoxy-1,3,2-dioxaphosphetane

2-methoxy-1,3,2-dioxaphosphetane (PubChem CID 22949604) has the molecular formula C2H5O3P and a molecular weight of 108.03 g/mol. Its IUPAC name is 2-methoxy-1,3,2-dioxaphosphetane.

Molecular Properties

Compound Name2-methoxy-1,3,2-dioxaphosphetane
PubChem CID22949604
Molecular FormulaC2H5O3P
Molecular Weight108.03 g/mol
Exact Mass108.00
IUPAC Name2-methoxy-1,3,2-dioxaphosphetane
SMILESCOP1OCO1
InChIInChI=1S/C2H5O3P/c1-3-6-4-2-5-6/h2H2,1H3
InChIKeyVVAQKYDHGCNNAH-UHFFFAOYSA-N
XLogP0.86
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.03
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methoxy-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-methoxy-1,3,2-dioxaphosphetane?
The IUPAC name of 2-methoxy-1,3,2-dioxaphosphetane (CID 22949604) is 2-methoxy-1,3,2-dioxaphosphetane.
What is the SMILES notation for 2-methoxy-1,3,2-dioxaphosphetane?
The canonical SMILES for 2-methoxy-1,3,2-dioxaphosphetane is COP1OCO1.
What is the InChIKey of 2-methoxy-1,3,2-dioxaphosphetane?
The InChIKey is VVAQKYDHGCNNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5O3P/c1-3-6-4-2-5-6/h2H2,1H3.
What are the key properties of 2-methoxy-1,3,2-dioxaphosphetane?
2-methoxy-1,3,2-dioxaphosphetane has a molecular weight of 108.03 g/mol, XLogP of 0.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1,3,2-dioxaphosphetane is sourced from PubChem (CID 22949604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).