ethoxyethane;2-hydroxyacetaldehyde

C6H14O3 — CID 22993063

IUPACethoxyethane;2-hydroxyacetaldehyde
SMILESCCOCC.O=CCO
InChIInChI=1S/C4H10O.C2H4O2/c1-3-5-4-2;3-1-2-4/h3-4H2,1-2H3;1,4H,2H2
InChIKeyVLPTWNVCHFNSFY-UHFFFAOYSA-N
MW134.18 g/mol
LogP0.22
Rot. Bonds3

About ethoxyethane;2-hydroxyacetaldehyde

ethoxyethane;2-hydroxyacetaldehyde (PubChem CID 22993063) has the molecular formula C6H14O3 and a molecular weight of 134.18 g/mol. Its IUPAC name is ethoxyethane;2-hydroxyacetaldehyde.

Molecular Properties

Compound Nameethoxyethane;2-hydroxyacetaldehyde
PubChem CID22993063
Molecular FormulaC6H14O3
Molecular Weight134.18 g/mol
Exact Mass134.09
IUPAC Nameethoxyethane;2-hydroxyacetaldehyde
SMILESCCOCC.O=CCO
InChIInChI=1S/C4H10O.C2H4O2/c1-3-5-4-2;3-1-2-4/h3-4H2,1-2H3;1,4H,2H2
InChIKeyVLPTWNVCHFNSFY-UHFFFAOYSA-N
XLogP0.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethoxyethane;2-hydroxyacetaldehyde?
The IUPAC name of ethoxyethane;2-hydroxyacetaldehyde (CID 22993063) is ethoxyethane;2-hydroxyacetaldehyde.
What is the SMILES notation for ethoxyethane;2-hydroxyacetaldehyde?
The canonical SMILES for ethoxyethane;2-hydroxyacetaldehyde is CCOCC.O=CCO.
What is the InChIKey of ethoxyethane;2-hydroxyacetaldehyde?
The InChIKey is VLPTWNVCHFNSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C2H4O2/c1-3-5-4-2;3-1-2-4/h3-4H2,1-2H3;1,4H,2H2.
What are the key properties of ethoxyethane;2-hydroxyacetaldehyde?
ethoxyethane;2-hydroxyacetaldehyde has a molecular weight of 134.18 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;2-hydroxyacetaldehyde is sourced from PubChem (CID 22993063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).