2-(2-hydroxyethyl)oxolane-3-carbaldehyde

C7H12O3 — CID 90736682

IUPAC2-(2-hydroxyethyl)oxolane-3-carbaldehyde
SMILESO=CC1CCOC1CCO
InChIInChI=1S/C7H12O3/c8-3-1-7-6(5-9)2-4-10-7/h5-8H,1-4H2
InChIKeyZOSHUOWXPCUPHY-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.03
Rot. Bonds3

About 2-(2-hydroxyethyl)oxolane-3-carbaldehyde

2-(2-hydroxyethyl)oxolane-3-carbaldehyde (PubChem CID 90736682) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)oxolane-3-carbaldehyde.

Molecular Properties

Compound Name2-(2-hydroxyethyl)oxolane-3-carbaldehyde
PubChem CID90736682
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name2-(2-hydroxyethyl)oxolane-3-carbaldehyde
SMILESO=CC1CCOC1CCO
InChIInChI=1S/C7H12O3/c8-3-1-7-6(5-9)2-4-10-7/h5-8H,1-4H2
InChIKeyZOSHUOWXPCUPHY-UHFFFAOYSA-N
XLogP-0.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R,3R)-3-methyloxolan-2-yl]ethanol
CID 134950887
(2R,3R)-2-(butoxymethyl)oxolane-3-carbaldehyde
CID 171770434
(2S,3R)-2-methyloxolane-3-carbaldehyde
CID 92908099
(2R,3S)-2-methyloxolane-3-carbaldehyde
CID 12560931
2-(2-hydroxyethyl)oxetan-3-ol
CID 118010510
2-(3-hydroxypropyl)oxolan-3-ol
CID 145103835
tert-butyl (3aS,5R,6aS)-5-(2-hydroxyethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylate
CID 170771473
(2S,3R,4R,5R)-3,4-dihydroxy-5-(2-hydroxyethyl)oxolane-2-carbaldehyde
CID 101027471
(3S,5S)-2-(2-hydroxyethyl)oxane-3,4,5-triol
CID 166874001
(2R,3S,4S)-2-(2-hydroxyethyl)oxolane-3,4-diol
CID 131000812
(2S,3R)-2-butyl-3-[(1E)-2-methylbuta-1,3-dienyl]oxolane
CID 134968921
4-(hydroxymethyl)-1,3-dioxane-2-carbaldehyde
CID 174323449

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)oxolane-3-carbaldehyde?
The IUPAC name of 2-(2-hydroxyethyl)oxolane-3-carbaldehyde (CID 90736682) is 2-(2-hydroxyethyl)oxolane-3-carbaldehyde.
What is the SMILES notation for 2-(2-hydroxyethyl)oxolane-3-carbaldehyde?
The canonical SMILES for 2-(2-hydroxyethyl)oxolane-3-carbaldehyde is O=CC1CCOC1CCO.
What is the InChIKey of 2-(2-hydroxyethyl)oxolane-3-carbaldehyde?
The InChIKey is ZOSHUOWXPCUPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c8-3-1-7-6(5-9)2-4-10-7/h5-8H,1-4H2.
What are the key properties of 2-(2-hydroxyethyl)oxolane-3-carbaldehyde?
2-(2-hydroxyethyl)oxolane-3-carbaldehyde has a molecular weight of 144.17 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)oxolane-3-carbaldehyde is sourced from PubChem (CID 90736682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).