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

C6H10O3 — CID 3661214

IUPAC3-(1,3-dioxolan-2-yl)propanal
SMILESO=CCCC1OCCO1
InChIInChI=1S/C6H10O3/c7-3-1-2-6-8-4-5-9-6/h3,6H,1-2,4-5H2
InChIKeyXFMMMZDHPNOERJ-UHFFFAOYSA-N
MW130.14 g/mol
LogP0.34
Rot. Bonds3

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

3-(1,3-dioxolan-2-yl)propanal (PubChem CID 3661214) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 3-(1,3-dioxolan-2-yl)propanal.

Molecular Properties

Compound Name3-(1,3-dioxolan-2-yl)propanal
PubChem CID3661214
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name3-(1,3-dioxolan-2-yl)propanal
SMILESO=CCCC1OCCO1
InChIInChI=1S/C6H10O3/c7-3-1-2-6-8-4-5-9-6/h3,6H,1-2,4-5H2
InChIKeyXFMMMZDHPNOERJ-UHFFFAOYSA-N
XLogP0.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(1,3-dioxolan-2-yl)propanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxolan-2-yl)propanal?
The IUPAC name of 3-(1,3-dioxolan-2-yl)propanal (CID 3661214) is 3-(1,3-dioxolan-2-yl)propanal.
What is the SMILES notation for 3-(1,3-dioxolan-2-yl)propanal?
The canonical SMILES for 3-(1,3-dioxolan-2-yl)propanal is O=CCCC1OCCO1.
What is the InChIKey of 3-(1,3-dioxolan-2-yl)propanal?
The InChIKey is XFMMMZDHPNOERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c7-3-1-2-6-8-4-5-9-6/h3,6H,1-2,4-5H2.
What are the key properties of 3-(1,3-dioxolan-2-yl)propanal?
3-(1,3-dioxolan-2-yl)propanal has a molecular weight of 130.14 g/mol, XLogP of 0.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxolan-2-yl)propanal is sourced from PubChem (CID 3661214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).