1-[ethoxy(methyl)phosphoryl]oxyethane

C5H13O3P — CID 12685

IUPAC1-[ethoxy(methyl)phosphoryl]oxyethane
SMILESCCOP(C)(=O)OCC
InChIInChI=1S/C5H13O3P/c1-4-7-9(3,6)8-5-2/h4-5H2,1-3H3
InChIKeyNYYLZXREFNYPKB-UHFFFAOYSA-N
MW152.13 g/mol
LogP1.88
Rot. Bonds4

About 1-[ethoxy(methyl)phosphoryl]oxyethane

1-[ethoxy(methyl)phosphoryl]oxyethane (PubChem CID 12685) has the molecular formula C5H13O3P and a molecular weight of 152.13 g/mol. Its IUPAC name is 1-[ethoxy(methyl)phosphoryl]oxyethane.

Molecular Properties

Compound Name1-[ethoxy(methyl)phosphoryl]oxyethane
PubChem CID12685
Molecular FormulaC5H13O3P
Molecular Weight152.13 g/mol
Exact Mass152.06
IUPAC Name1-[ethoxy(methyl)phosphoryl]oxyethane
SMILESCCOP(C)(=O)OCC
InChIInChI=1S/C5H13O3P/c1-4-7-9(3,6)8-5-2/h4-5H2,1-3H3
InChIKeyNYYLZXREFNYPKB-UHFFFAOYSA-N
XLogP1.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.13
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[ethoxy(methyl)phosphoryl]oxyethane?
The IUPAC name of 1-[ethoxy(methyl)phosphoryl]oxyethane (CID 12685) is 1-[ethoxy(methyl)phosphoryl]oxyethane.
What is the SMILES notation for 1-[ethoxy(methyl)phosphoryl]oxyethane?
The canonical SMILES for 1-[ethoxy(methyl)phosphoryl]oxyethane is CCOP(C)(=O)OCC.
What is the InChIKey of 1-[ethoxy(methyl)phosphoryl]oxyethane?
The InChIKey is NYYLZXREFNYPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O3P/c1-4-7-9(3,6)8-5-2/h4-5H2,1-3H3.
What are the key properties of 1-[ethoxy(methyl)phosphoryl]oxyethane?
1-[ethoxy(methyl)phosphoryl]oxyethane has a molecular weight of 152.13 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy(methyl)phosphoryl]oxyethane is sourced from PubChem (CID 12685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).