2-(diethoxyphosphorylmethoxy)-1,3-oxathiolane

C8H17O5PS — CID 59796118

IUPAC2-(diethoxyphosphorylmethoxy)-1,3-oxathiolane
SMILESCCOP(=O)(COC1OCCS1)OCC
InChIInChI=1S/C8H17O5PS/c1-3-12-14(9,13-4-2)7-11-8-10-5-6-15-8/h8H,3-7H2,1-2H3
InChIKeyWPZIYBOMPHCWPF-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.27
Rot. Bonds7

About 2-(diethoxyphosphorylmethoxy)-1,3-oxathiolane

2-(diethoxyphosphorylmethoxy)-1,3-oxathiolane (PubChem CID 59796118) has the molecular formula C8H17O5PS and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-(diethoxyphosphorylmethoxy)-1,3-oxathiolane.

Molecular Properties

Compound Name2-(diethoxyphosphorylmethoxy)-1,3-oxathiolane
PubChem CID59796118
Molecular FormulaC8H17O5PS
Molecular Weight256.26 g/mol
Exact Mass256.05
IUPAC Name2-(diethoxyphosphorylmethoxy)-1,3-oxathiolane
SMILESCCOP(=O)(COC1OCCS1)OCC
InChIInChI=1S/C8H17O5PS/c1-3-12-14(9,13-4-2)7-11-8-10-5-6-15-8/h8H,3-7H2,1-2H3
InChIKeyWPZIYBOMPHCWPF-UHFFFAOYSA-N
XLogP2.27
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(diethoxyphosphorylmethoxy)-1,3-oxathiolane?
The IUPAC name of 2-(diethoxyphosphorylmethoxy)-1,3-oxathiolane (CID 59796118) is 2-(diethoxyphosphorylmethoxy)-1,3-oxathiolane.
What is the SMILES notation for 2-(diethoxyphosphorylmethoxy)-1,3-oxathiolane?
The canonical SMILES for 2-(diethoxyphosphorylmethoxy)-1,3-oxathiolane is CCOP(=O)(COC1OCCS1)OCC.
What is the InChIKey of 2-(diethoxyphosphorylmethoxy)-1,3-oxathiolane?
The InChIKey is WPZIYBOMPHCWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O5PS/c1-3-12-14(9,13-4-2)7-11-8-10-5-6-15-8/h8H,3-7H2,1-2H3.
What are the key properties of 2-(diethoxyphosphorylmethoxy)-1,3-oxathiolane?
2-(diethoxyphosphorylmethoxy)-1,3-oxathiolane has a molecular weight of 256.26 g/mol, XLogP of 2.27, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethoxyphosphorylmethoxy)-1,3-oxathiolane is sourced from PubChem (CID 59796118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).