2-(2-oxo-1,3-dioxolan-4-yl)propanal

C6H8O4 — CID 139237686

IUPAC2-(2-oxo-1,3-dioxolan-4-yl)propanal
SMILESCC(C=O)C1COC(=O)O1
InChIInChI=1S/C6H8O4/c1-4(2-7)5-3-9-6(8)10-5/h2,4-5H,3H2,1H3
InChIKeyVOFIDDFXFLWTSL-UHFFFAOYSA-N
MW144.13 g/mol
LogP0.36
Rot. Bonds2

About 2-(2-oxo-1,3-dioxolan-4-yl)propanal

2-(2-oxo-1,3-dioxolan-4-yl)propanal (PubChem CID 139237686) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is 2-(2-oxo-1,3-dioxolan-4-yl)propanal.

Molecular Properties

Compound Name2-(2-oxo-1,3-dioxolan-4-yl)propanal
PubChem CID139237686
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name2-(2-oxo-1,3-dioxolan-4-yl)propanal
SMILESCC(C=O)C1COC(=O)O1
InChIInChI=1S/C6H8O4/c1-4(2-7)5-3-9-6(8)10-5/h2,4-5H,3H2,1H3
InChIKeyVOFIDDFXFLWTSL-UHFFFAOYSA-N
XLogP0.36
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-dioxolan-4-yl)propanal?
The IUPAC name of 2-(2-oxo-1,3-dioxolan-4-yl)propanal (CID 139237686) is 2-(2-oxo-1,3-dioxolan-4-yl)propanal.
What is the SMILES notation for 2-(2-oxo-1,3-dioxolan-4-yl)propanal?
The canonical SMILES for 2-(2-oxo-1,3-dioxolan-4-yl)propanal is CC(C=O)C1COC(=O)O1.
What is the InChIKey of 2-(2-oxo-1,3-dioxolan-4-yl)propanal?
The InChIKey is VOFIDDFXFLWTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4/c1-4(2-7)5-3-9-6(8)10-5/h2,4-5H,3H2,1H3.
What are the key properties of 2-(2-oxo-1,3-dioxolan-4-yl)propanal?
2-(2-oxo-1,3-dioxolan-4-yl)propanal has a molecular weight of 144.13 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-dioxolan-4-yl)propanal is sourced from PubChem (CID 139237686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).