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

C7H12O3 — CID 10986358

IUPAC2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetaldehyde
SMILESCC1(C)OCC(CC=O)O1
InChIInChI=1S/C7H12O3/c1-7(2)9-5-6(10-7)3-4-8/h4,6H,3,5H2,1-2H3
InChIKeyBASUVKNKERZYGZ-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.73
Rot. Bonds2

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

2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetaldehyde (PubChem CID 10986358) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetaldehyde
PubChem CID10986358
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetaldehyde
SMILESCC1(C)OCC(CC=O)O1
InChIInChI=1S/C7H12O3/c1-7(2)9-5-6(10-7)3-4-8/h4,6H,3,5H2,1-2H3
InChIKeyBASUVKNKERZYGZ-UHFFFAOYSA-N
XLogP0.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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 2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetaldehyde?
The IUPAC name of 2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetaldehyde (CID 10986358) is 2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetaldehyde.
What is the SMILES notation for 2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetaldehyde?
The canonical SMILES for 2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetaldehyde is CC1(C)OCC(CC=O)O1.
What is the InChIKey of 2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetaldehyde?
The InChIKey is BASUVKNKERZYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-7(2)9-5-6(10-7)3-4-8/h4,6H,3,5H2,1-2H3.
What are the key properties of 2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetaldehyde?
2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetaldehyde has a molecular weight of 144.17 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetaldehyde is sourced from PubChem (CID 10986358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).