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

C8H14O3 — CID 11367150

IUPAC3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanal
SMILESCC1(C)OCC(CCC=O)O1
InChIInChI=1S/C8H14O3/c1-8(2)10-6-7(11-8)4-3-5-9/h5,7H,3-4,6H2,1-2H3
InChIKeyHLPAUCHFDOXHSC-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.12
Rot. Bonds3

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

3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanal (PubChem CID 11367150) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanal.

Molecular Properties

Compound Name3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanal
PubChem CID11367150
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanal
SMILESCC1(C)OCC(CCC=O)O1
InChIInChI=1S/C8H14O3/c1-8(2)10-6-7(11-8)4-3-5-9/h5,7H,3-4,6H2,1-2H3
InChIKeyHLPAUCHFDOXHSC-UHFFFAOYSA-N
XLogP1.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2,2-dimethyl-1,3-dioxolan-4-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-(2,2-dimethyl-1,3-dioxolan-4-yl)propanal?
The IUPAC name of 3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanal (CID 11367150) is 3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanal.
What is the SMILES notation for 3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanal?
The canonical SMILES for 3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanal is CC1(C)OCC(CCC=O)O1.
What is the InChIKey of 3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanal?
The InChIKey is HLPAUCHFDOXHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-8(2)10-6-7(11-8)4-3-5-9/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanal?
3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanal has a molecular weight of 158.20 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanal is sourced from PubChem (CID 11367150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).