3-(2-methyl-1,3-dioxolan-2-yl)propanal

C7H12O3 — CID 560040

IUPAC3-(2-methyl-1,3-dioxolan-2-yl)propanal
SMILESCC1(CCC=O)OCCO1
InChIInChI=1S/C7H12O3/c1-7(3-2-4-8)9-5-6-10-7/h4H,2-3,5-6H2,1H3
InChIKeyOGTSPQXEOKPHMW-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.73
Rot. Bonds3

About 3-(2-methyl-1,3-dioxolan-2-yl)propanal

3-(2-methyl-1,3-dioxolan-2-yl)propanal (PubChem CID 560040) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 3-(2-methyl-1,3-dioxolan-2-yl)propanal.

Molecular Properties

Compound Name3-(2-methyl-1,3-dioxolan-2-yl)propanal
PubChem CID560040
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name3-(2-methyl-1,3-dioxolan-2-yl)propanal
SMILESCC1(CCC=O)OCCO1
InChIInChI=1S/C7H12O3/c1-7(3-2-4-8)9-5-6-10-7/h4H,2-3,5-6H2,1H3
InChIKeyOGTSPQXEOKPHMW-UHFFFAOYSA-N
XLogP0.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.73
H-Bond Donors ≤ 50
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 3-(2-methyl-1,3-dioxolan-2-yl)propanal?
The IUPAC name of 3-(2-methyl-1,3-dioxolan-2-yl)propanal (CID 560040) is 3-(2-methyl-1,3-dioxolan-2-yl)propanal.
What is the SMILES notation for 3-(2-methyl-1,3-dioxolan-2-yl)propanal?
The canonical SMILES for 3-(2-methyl-1,3-dioxolan-2-yl)propanal is CC1(CCC=O)OCCO1.
What is the InChIKey of 3-(2-methyl-1,3-dioxolan-2-yl)propanal?
The InChIKey is OGTSPQXEOKPHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-7(3-2-4-8)9-5-6-10-7/h4H,2-3,5-6H2,1H3.
What are the key properties of 3-(2-methyl-1,3-dioxolan-2-yl)propanal?
3-(2-methyl-1,3-dioxolan-2-yl)propanal has a molecular weight of 144.17 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3-dioxolan-2-yl)propanal is sourced from PubChem (CID 560040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).