2-ethylphosphanylacetate

C4H8O2P- — CID 21188610

IUPAC2-ethylphosphanylacetate
SMILESCCPCC(=O)[O-]
InChIInChI=1S/C4H9O2P/c1-2-7-3-4(5)6/h7H,2-3H2,1H3,(H,5,6)/p-1
InChIKeyIQWYYIQTIYLVMP-UHFFFAOYSA-M
MW119.08 g/mol
LogP-0.57
Rot. Bonds3

About 2-ethylphosphanylacetate

2-ethylphosphanylacetate (PubChem CID 21188610) has the molecular formula C4H8O2P- and a molecular weight of 119.08 g/mol. Its IUPAC name is 2-ethylphosphanylacetate.

Molecular Properties

Compound Name2-ethylphosphanylacetate
PubChem CID21188610
Molecular FormulaC4H8O2P-
Molecular Weight119.08 g/mol
Exact Mass119.03
IUPAC Name2-ethylphosphanylacetate
SMILESCCPCC(=O)[O-]
InChIInChI=1S/C4H9O2P/c1-2-7-3-4(5)6/h7H,2-3H2,1H3,(H,5,6)/p-1
InChIKeyIQWYYIQTIYLVMP-UHFFFAOYSA-M
XLogP-0.57
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.08
LogP ≤ 5-0.57
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 2-ethylphosphanylacetate?
The IUPAC name of 2-ethylphosphanylacetate (CID 21188610) is 2-ethylphosphanylacetate.
What is the SMILES notation for 2-ethylphosphanylacetate?
The canonical SMILES for 2-ethylphosphanylacetate is CCPCC(=O)[O-].
What is the InChIKey of 2-ethylphosphanylacetate?
The InChIKey is IQWYYIQTIYLVMP-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9O2P/c1-2-7-3-4(5)6/h7H,2-3H2,1H3,(H,5,6)/p-1.
What are the key properties of 2-ethylphosphanylacetate?
2-ethylphosphanylacetate has a molecular weight of 119.08 g/mol, XLogP of -0.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylphosphanylacetate is sourced from PubChem (CID 21188610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).