3-(diethoxyphosphorylmethylidene)oxetane

C8H15O4P — CID 46203851

IUPAC3-(diethoxyphosphorylmethylidene)oxetane
SMILESCCOP(=O)(C=C1COC1)OCC
InChIInChI=1S/C8H15O4P/c1-3-11-13(9,12-4-2)7-8-5-10-6-8/h7H,3-6H2,1-2H3
InChIKeyFFSCZIVKLQZURA-UHFFFAOYSA-N
MW206.18 g/mol
LogP2.17
Rot. Bonds5

About 3-(diethoxyphosphorylmethylidene)oxetane

3-(diethoxyphosphorylmethylidene)oxetane (PubChem CID 46203851) has the molecular formula C8H15O4P and a molecular weight of 206.18 g/mol. Its IUPAC name is 3-(diethoxyphosphorylmethylidene)oxetane.

Molecular Properties

Compound Name3-(diethoxyphosphorylmethylidene)oxetane
PubChem CID46203851
Molecular FormulaC8H15O4P
Molecular Weight206.18 g/mol
Exact Mass206.07
IUPAC Name3-(diethoxyphosphorylmethylidene)oxetane
SMILESCCOP(=O)(C=C1COC1)OCC
InChIInChI=1S/C8H15O4P/c1-3-11-13(9,12-4-2)7-8-5-10-6-8/h7H,3-6H2,1-2H3
InChIKeyFFSCZIVKLQZURA-UHFFFAOYSA-N
XLogP2.17
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(diethoxyphosphorylmethylidene)oxetane?
The IUPAC name of 3-(diethoxyphosphorylmethylidene)oxetane (CID 46203851) is 3-(diethoxyphosphorylmethylidene)oxetane.
What is the SMILES notation for 3-(diethoxyphosphorylmethylidene)oxetane?
The canonical SMILES for 3-(diethoxyphosphorylmethylidene)oxetane is CCOP(=O)(C=C1COC1)OCC.
What is the InChIKey of 3-(diethoxyphosphorylmethylidene)oxetane?
The InChIKey is FFSCZIVKLQZURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O4P/c1-3-11-13(9,12-4-2)7-8-5-10-6-8/h7H,3-6H2,1-2H3.
What are the key properties of 3-(diethoxyphosphorylmethylidene)oxetane?
3-(diethoxyphosphorylmethylidene)oxetane has a molecular weight of 206.18 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethoxyphosphorylmethylidene)oxetane is sourced from PubChem (CID 46203851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).