2-methyl-1,3,2λ5-dioxaphospholane 2-oxide

C3H7O3P — CID 12616942

IUPAC2-methyl-1,3,2λ5-dioxaphospholane 2-oxide
SMILESCP1(=O)OCCO1
InChIInChI=1S/C3H7O3P/c1-7(4)5-2-3-6-7/h2-3H2,1H3
InChIKeyUXANWQXYIARNOV-UHFFFAOYSA-N
MW122.06 g/mol
LogP0.86
Rot. Bonds

About 2-methyl-1,3,2λ5-dioxaphospholane 2-oxide

2-methyl-1,3,2λ5-dioxaphospholane 2-oxide (PubChem CID 12616942) has the molecular formula C3H7O3P and a molecular weight of 122.06 g/mol. Its IUPAC name is 2-methyl-1,3,2λ5-dioxaphospholane 2-oxide.

Molecular Properties

Compound Name2-methyl-1,3,2λ5-dioxaphospholane 2-oxide
PubChem CID12616942
Molecular FormulaC3H7O3P
Molecular Weight122.06 g/mol
Exact Mass122.01
IUPAC Name2-methyl-1,3,2λ5-dioxaphospholane 2-oxide
SMILESCP1(=O)OCCO1
InChIInChI=1S/C3H7O3P/c1-7(4)5-2-3-6-7/h2-3H2,1H3
InChIKeyUXANWQXYIARNOV-UHFFFAOYSA-N
XLogP0.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.06
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-1,3,2λ5-dioxaphospholane 2-oxide 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-1,3,2λ5-dioxaphospholane 2-oxide?
The IUPAC name of 2-methyl-1,3,2λ5-dioxaphospholane 2-oxide (CID 12616942) is 2-methyl-1,3,2λ5-dioxaphospholane 2-oxide.
What is the SMILES notation for 2-methyl-1,3,2λ5-dioxaphospholane 2-oxide?
The canonical SMILES for 2-methyl-1,3,2λ5-dioxaphospholane 2-oxide is CP1(=O)OCCO1.
What is the InChIKey of 2-methyl-1,3,2λ5-dioxaphospholane 2-oxide?
The InChIKey is UXANWQXYIARNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O3P/c1-7(4)5-2-3-6-7/h2-3H2,1H3.
What are the key properties of 2-methyl-1,3,2λ5-dioxaphospholane 2-oxide?
2-methyl-1,3,2λ5-dioxaphospholane 2-oxide has a molecular weight of 122.06 g/mol, XLogP of 0.86, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3,2λ5-dioxaphospholane 2-oxide is sourced from PubChem (CID 12616942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).