2-[ethoxy(ethyl)phosphoryl]oxyoxirane

C6H13O4P — CID 57290698

IUPAC2-[ethoxy(ethyl)phosphoryl]oxyoxirane
SMILESCCOP(=O)(CC)OC1CO1
InChIInChI=1S/C6H13O4P/c1-3-9-11(7,4-2)10-6-5-8-6/h6H,3-5H2,1-2H3
InChIKeyGPTRXVQZYQNOFP-UHFFFAOYSA-N
MW180.14 g/mol
LogP1.61
Rot. Bonds5

About 2-[ethoxy(ethyl)phosphoryl]oxyoxirane

2-[ethoxy(ethyl)phosphoryl]oxyoxirane (PubChem CID 57290698) has the molecular formula C6H13O4P and a molecular weight of 180.14 g/mol. Its IUPAC name is 2-[ethoxy(ethyl)phosphoryl]oxyoxirane.

Molecular Properties

Compound Name2-[ethoxy(ethyl)phosphoryl]oxyoxirane
PubChem CID57290698
Molecular FormulaC6H13O4P
Molecular Weight180.14 g/mol
Exact Mass180.06
IUPAC Name2-[ethoxy(ethyl)phosphoryl]oxyoxirane
SMILESCCOP(=O)(CC)OC1CO1
InChIInChI=1S/C6H13O4P/c1-3-9-11(7,4-2)10-6-5-8-6/h6H,3-5H2,1-2H3
InChIKeyGPTRXVQZYQNOFP-UHFFFAOYSA-N
XLogP1.61
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.14
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[ethoxy(ethyl)phosphoryl]oxyoxirane?
The IUPAC name of 2-[ethoxy(ethyl)phosphoryl]oxyoxirane (CID 57290698) is 2-[ethoxy(ethyl)phosphoryl]oxyoxirane.
What is the SMILES notation for 2-[ethoxy(ethyl)phosphoryl]oxyoxirane?
The canonical SMILES for 2-[ethoxy(ethyl)phosphoryl]oxyoxirane is CCOP(=O)(CC)OC1CO1.
What is the InChIKey of 2-[ethoxy(ethyl)phosphoryl]oxyoxirane?
The InChIKey is GPTRXVQZYQNOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O4P/c1-3-9-11(7,4-2)10-6-5-8-6/h6H,3-5H2,1-2H3.
What are the key properties of 2-[ethoxy(ethyl)phosphoryl]oxyoxirane?
2-[ethoxy(ethyl)phosphoryl]oxyoxirane has a molecular weight of 180.14 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxy(ethyl)phosphoryl]oxyoxirane is sourced from PubChem (CID 57290698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).