1-[ethyl(methyl)phosphoryl]oxyethane

C5H13O2P — CID 556561

IUPAC1-[ethyl(methyl)phosphoryl]oxyethane
SMILESCCOP(C)(=O)CC
InChIInChI=1S/C5H13O2P/c1-4-7-8(3,6)5-2/h4-5H2,1-3H3
InChIKeyHCDWPKSCTVCUAM-UHFFFAOYSA-N
MW136.13 g/mol
LogP1.95
Rot. Bonds3

About 1-[ethyl(methyl)phosphoryl]oxyethane

1-[ethyl(methyl)phosphoryl]oxyethane (PubChem CID 556561) has the molecular formula C5H13O2P and a molecular weight of 136.13 g/mol. Its IUPAC name is 1-[ethyl(methyl)phosphoryl]oxyethane.

Molecular Properties

Compound Name1-[ethyl(methyl)phosphoryl]oxyethane
PubChem CID556561
Molecular FormulaC5H13O2P
Molecular Weight136.13 g/mol
Exact Mass136.07
IUPAC Name1-[ethyl(methyl)phosphoryl]oxyethane
SMILESCCOP(C)(=O)CC
InChIInChI=1S/C5H13O2P/c1-4-7-8(3,6)5-2/h4-5H2,1-3H3
InChIKeyHCDWPKSCTVCUAM-UHFFFAOYSA-N
XLogP1.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.13
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[ethyl(methyl)phosphoryl]oxyethane?
The IUPAC name of 1-[ethyl(methyl)phosphoryl]oxyethane (CID 556561) is 1-[ethyl(methyl)phosphoryl]oxyethane.
What is the SMILES notation for 1-[ethyl(methyl)phosphoryl]oxyethane?
The canonical SMILES for 1-[ethyl(methyl)phosphoryl]oxyethane is CCOP(C)(=O)CC.
What is the InChIKey of 1-[ethyl(methyl)phosphoryl]oxyethane?
The InChIKey is HCDWPKSCTVCUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O2P/c1-4-7-8(3,6)5-2/h4-5H2,1-3H3.
What are the key properties of 1-[ethyl(methyl)phosphoryl]oxyethane?
1-[ethyl(methyl)phosphoryl]oxyethane has a molecular weight of 136.13 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(methyl)phosphoryl]oxyethane is sourced from PubChem (CID 556561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).