2-(2-ethyl-1,3-dioxolan-2-yl)acetaldehyde

C7H12O3 — CID 13489223

IUPAC2-(2-ethyl-1,3-dioxolan-2-yl)acetaldehyde
SMILESCCC1(CC=O)OCCO1
InChIInChI=1S/C7H12O3/c1-2-7(3-4-8)9-5-6-10-7/h4H,2-3,5-6H2,1H3
InChIKeyRSBUECUWOUTIPA-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.73
Rot. Bonds3

About 2-(2-ethyl-1,3-dioxolan-2-yl)acetaldehyde

2-(2-ethyl-1,3-dioxolan-2-yl)acetaldehyde (PubChem CID 13489223) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-(2-ethyl-1,3-dioxolan-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-ethyl-1,3-dioxolan-2-yl)acetaldehyde
PubChem CID13489223
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name2-(2-ethyl-1,3-dioxolan-2-yl)acetaldehyde
SMILESCCC1(CC=O)OCCO1
InChIInChI=1S/C7H12O3/c1-2-7(3-4-8)9-5-6-10-7/h4H,2-3,5-6H2,1H3
InChIKeyRSBUECUWOUTIPA-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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Related Compounds

2-((4R)-2,2-dimethyl-1,3-dioxolan-4-yl)acetaldehyde
CID 10942557
2-((4S)-2,2-dimethyl-1,3-dioxolan-4-yl)acetaldehyde
CID 11084008
2-(2,2-Dimethyl-1,3-dioxolan-4-yl)acetaldehyde
CID 10986358
1,3-Dioxolane-2-propanal, 2-methyl-
CID 560040
2-Propanone, 1-(2-methyl-1,3-dioxolan-2-yl)-
CID 560041
(2-Propyl-1,3-dioxolan-2-yl)acetaldehyde
CID 14449685
2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 10080837
2-(2-Methyl-1,3-dioxolan-2-yl)acetaldehyde
CID 11007926
2-(2-Methyl-1,3-dioxolan-2-yl)propanal
CID 11275073
2-[2-(2-Oxoethyl)-1,3-dioxolan-2-yl]acetaldehyde
CID 14911211
(r)-2-(2,2-Diethyl-1,3-dioxolan-4-yl)acetaldehyde
CID 11019328
2,5-Dideoxy-3,4-O-(1-methylethylidene)-D-threo-pentose
CID 11275145

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1,3-dioxolan-2-yl)acetaldehyde?
The IUPAC name of 2-(2-ethyl-1,3-dioxolan-2-yl)acetaldehyde (CID 13489223) is 2-(2-ethyl-1,3-dioxolan-2-yl)acetaldehyde.
What is the SMILES notation for 2-(2-ethyl-1,3-dioxolan-2-yl)acetaldehyde?
The canonical SMILES for 2-(2-ethyl-1,3-dioxolan-2-yl)acetaldehyde is CCC1(CC=O)OCCO1.
What is the InChIKey of 2-(2-ethyl-1,3-dioxolan-2-yl)acetaldehyde?
The InChIKey is RSBUECUWOUTIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-2-7(3-4-8)9-5-6-10-7/h4H,2-3,5-6H2,1H3.
What are the key properties of 2-(2-ethyl-1,3-dioxolan-2-yl)acetaldehyde?
2-(2-ethyl-1,3-dioxolan-2-yl)acetaldehyde 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 2-(2-ethyl-1,3-dioxolan-2-yl)acetaldehyde is sourced from PubChem (CID 13489223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).