1-hydroxyethanolate

C2H5O2- — CID 22137868

IUPAC1-hydroxyethanolate
SMILESCC([O-])O
InChIInChI=1S/C2H5O2/c1-2(3)4/h2-3H,1H3/q-1
InChIKeyGRJWRYHTUASTMG-UHFFFAOYSA-N
MW61.06 g/mol
LogP-1.32
Rot. Bonds

About 1-hydroxyethanolate

1-hydroxyethanolate (PubChem CID 22137868) has the molecular formula C2H5O2- and a molecular weight of 61.06 g/mol. Its IUPAC name is 1-hydroxyethanolate.

Molecular Properties

Compound Name1-hydroxyethanolate
PubChem CID22137868
Molecular FormulaC2H5O2-
Molecular Weight61.06 g/mol
Exact Mass61.03
IUPAC Name1-hydroxyethanolate
SMILESCC([O-])O
InChIInChI=1S/C2H5O2/c1-2(3)4/h2-3H,1H3/q-1
InChIKeyGRJWRYHTUASTMG-UHFFFAOYSA-N
XLogP-1.32
TPSA43.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50061.06
LogP ≤ 5-1.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxyethanolate?
The IUPAC name of 1-hydroxyethanolate (CID 22137868) is 1-hydroxyethanolate.
What is the SMILES notation for 1-hydroxyethanolate?
The canonical SMILES for 1-hydroxyethanolate is CC([O-])O.
What is the InChIKey of 1-hydroxyethanolate?
The InChIKey is GRJWRYHTUASTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5O2/c1-2(3)4/h2-3H,1H3/q-1.
What are the key properties of 1-hydroxyethanolate?
1-hydroxyethanolate has a molecular weight of 61.06 g/mol, XLogP of -1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyethanolate is sourced from PubChem (CID 22137868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).