2-(2-ethenoxyethoxy)-3-hydroxypropanal

C7H12O4 — CID 91341078

IUPAC2-(2-ethenoxyethoxy)-3-hydroxypropanal
SMILESC=COCCOC(C=O)CO
InChIInChI=1S/C7H12O4/c1-2-10-3-4-11-7(5-8)6-9/h2,5,7,9H,1,3-4,6H2
InChIKeyOFBJHHPXEBJRQM-UHFFFAOYSA-N
MW160.17 g/mol
LogP-0.28
Rot. Bonds7

About 2-(2-ethenoxyethoxy)-3-hydroxypropanal

2-(2-ethenoxyethoxy)-3-hydroxypropanal (PubChem CID 91341078) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is 2-(2-ethenoxyethoxy)-3-hydroxypropanal.

Molecular Properties

Compound Name2-(2-ethenoxyethoxy)-3-hydroxypropanal
PubChem CID91341078
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name2-(2-ethenoxyethoxy)-3-hydroxypropanal
SMILESC=COCCOC(C=O)CO
InChIInChI=1S/C7H12O4/c1-2-10-3-4-11-7(5-8)6-9/h2,5,7,9H,1,3-4,6H2
InChIKeyOFBJHHPXEBJRQM-UHFFFAOYSA-N
XLogP-0.28
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-hydroxy-2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanal
CID 176837340
2-(2-ethenoxyethoxy)propane
CID 14510947
3-(2-ethenoxyethoxy)butan-2-ol
CID 90891465
3-[3-(2-ethenoxyethoxy)butoxy]butan-1-ol
CID 89181158
2-(2-ethenoxyethoxy)-3-methylbutane
CID 164755037
acetic acid;2-ethenoxyethanol
CID 71400985
2-ethenoxyethyl hypochlorite
CID 175416339
(2R)-3-hydroxy-2-pentan-3-yloxypropanal
CID 46217240
2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethanol
CID 159071028
ethanol;1-ethenoxy-2-(2-ethenoxyethoxy)ethane
CID 174885863
2-(2-ethenoxyethoxy)ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 159459473
2-(2-ethenoxyethoxy)propyl acetate
CID 139969470

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenoxyethoxy)-3-hydroxypropanal?
The IUPAC name of 2-(2-ethenoxyethoxy)-3-hydroxypropanal (CID 91341078) is 2-(2-ethenoxyethoxy)-3-hydroxypropanal.
What is the SMILES notation for 2-(2-ethenoxyethoxy)-3-hydroxypropanal?
The canonical SMILES for 2-(2-ethenoxyethoxy)-3-hydroxypropanal is C=COCCOC(C=O)CO.
What is the InChIKey of 2-(2-ethenoxyethoxy)-3-hydroxypropanal?
The InChIKey is OFBJHHPXEBJRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c1-2-10-3-4-11-7(5-8)6-9/h2,5,7,9H,1,3-4,6H2.
What are the key properties of 2-(2-ethenoxyethoxy)-3-hydroxypropanal?
2-(2-ethenoxyethoxy)-3-hydroxypropanal has a molecular weight of 160.17 g/mol, XLogP of -0.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenoxyethoxy)-3-hydroxypropanal is sourced from PubChem (CID 91341078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).