2-[2-(2-oxoethyl)-1,3-dioxolan-2-yl]acetaldehyde

C7H10O4 — CID 14911211

IUPAC2-[2-(2-oxoethyl)-1,3-dioxolan-2-yl]acetaldehyde
SMILESO=CCC1(CC=O)OCCO1
InChIInChI=1S/C7H10O4/c8-3-1-7(2-4-9)10-5-6-11-7/h3-4H,1-2,5-6H2
InChIKeyJOGWMIAXCIIMAM-UHFFFAOYSA-N
MW158.15 g/mol
LogP-0.09
Rot. Bonds4

About 2-[2-(2-oxoethyl)-1,3-dioxolan-2-yl]acetaldehyde

2-[2-(2-oxoethyl)-1,3-dioxolan-2-yl]acetaldehyde (PubChem CID 14911211) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is 2-[2-(2-oxoethyl)-1,3-dioxolan-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[2-(2-oxoethyl)-1,3-dioxolan-2-yl]acetaldehyde
PubChem CID14911211
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name2-[2-(2-oxoethyl)-1,3-dioxolan-2-yl]acetaldehyde
SMILESO=CCC1(CC=O)OCCO1
InChIInChI=1S/C7H10O4/c8-3-1-7(2-4-9)10-5-6-11-7/h3-4H,1-2,5-6H2
InChIKeyJOGWMIAXCIIMAM-UHFFFAOYSA-N
XLogP-0.09
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Methyl-1,3-dioxolan-2-yl)acetaldehyde
CID 11007926
2-(2-Ethyl-1,3-dioxolan-2-yl)acetaldehyde
CID 13489223
3-[2-(2-Oxoethyl)-1,3-dioxolan-2-yl]propanal
CID 24975708

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-oxoethyl)-1,3-dioxolan-2-yl]acetaldehyde?
The IUPAC name of 2-[2-(2-oxoethyl)-1,3-dioxolan-2-yl]acetaldehyde (CID 14911211) is 2-[2-(2-oxoethyl)-1,3-dioxolan-2-yl]acetaldehyde.
What is the SMILES notation for 2-[2-(2-oxoethyl)-1,3-dioxolan-2-yl]acetaldehyde?
The canonical SMILES for 2-[2-(2-oxoethyl)-1,3-dioxolan-2-yl]acetaldehyde is O=CCC1(CC=O)OCCO1.
What is the InChIKey of 2-[2-(2-oxoethyl)-1,3-dioxolan-2-yl]acetaldehyde?
The InChIKey is JOGWMIAXCIIMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c8-3-1-7(2-4-9)10-5-6-11-7/h3-4H,1-2,5-6H2.
What are the key properties of 2-[2-(2-oxoethyl)-1,3-dioxolan-2-yl]acetaldehyde?
2-[2-(2-oxoethyl)-1,3-dioxolan-2-yl]acetaldehyde has a molecular weight of 158.15 g/mol, XLogP of -0.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-oxoethyl)-1,3-dioxolan-2-yl]acetaldehyde is sourced from PubChem (CID 14911211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).