3-oxo-3-(oxolan-2-yl)propanal

C7H10O3 — CID 130577622

IUPAC3-oxo-3-(oxolan-2-yl)propanal
SMILESO=CCC(=O)C1CCCO1
InChIInChI=1S/C7H10O3/c8-4-3-6(9)7-2-1-5-10-7/h4,7H,1-3,5H2
InChIKeyWNARXAQIGVGISB-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.32
Rot. Bonds3

About 3-oxo-3-(oxolan-2-yl)propanal

3-oxo-3-(oxolan-2-yl)propanal (PubChem CID 130577622) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 3-oxo-3-(oxolan-2-yl)propanal.

Molecular Properties

Compound Name3-oxo-3-(oxolan-2-yl)propanal
PubChem CID130577622
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name3-oxo-3-(oxolan-2-yl)propanal
SMILESO=CCC(=O)C1CCCO1
InChIInChI=1S/C7H10O3/c8-4-3-6(9)7-2-1-5-10-7/h4,7H,1-3,5H2
InChIKeyWNARXAQIGVGISB-UHFFFAOYSA-N
XLogP0.32
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-cyclopentyl-1-(oxan-2-yl)ethanone
CID 114969343
1-[(2S)-oxolan-2-yl]pent-4-en-1-one
CID 129365967
2-cyclobutyl-1-(oxan-2-yl)ethanone
CID 114974038
3-methyl-1-(oxolan-2-yl)butan-1-one
CID 23514782
2-(1-methylcyclobutyl)-1-(oxolan-2-yl)ethanone
CID 130601230
2-(azepan-2-yl)-1-(oxolan-2-yl)ethanone
CID 130577628
azanium (2R)-oxolane-2-carboxylate
CID 141340270
oxolane-2-carboxylic acid;silver
CID 160678639
ethyl 3-oxo-3-[(2S)-oxolan-2-yl]propanoate
CID 40787289
hafnium;bis(oxolane-2-carboxylic acid);tetrahydrochloride
CID 173287990
cyclopropyl(oxolan-2-yl)methanone
CID 65331065
2-methoxy-1-(oxan-2-yl)ethanone
CID 115783401

Frequently Asked Questions

What is the IUPAC name of 3-oxo-3-(oxolan-2-yl)propanal?
The IUPAC name of 3-oxo-3-(oxolan-2-yl)propanal (CID 130577622) is 3-oxo-3-(oxolan-2-yl)propanal.
What is the SMILES notation for 3-oxo-3-(oxolan-2-yl)propanal?
The canonical SMILES for 3-oxo-3-(oxolan-2-yl)propanal is O=CCC(=O)C1CCCO1.
What is the InChIKey of 3-oxo-3-(oxolan-2-yl)propanal?
The InChIKey is WNARXAQIGVGISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c8-4-3-6(9)7-2-1-5-10-7/h4,7H,1-3,5H2.
What are the key properties of 3-oxo-3-(oxolan-2-yl)propanal?
3-oxo-3-(oxolan-2-yl)propanal has a molecular weight of 142.15 g/mol, XLogP of 0.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-3-(oxolan-2-yl)propanal is sourced from PubChem (CID 130577622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).