2-(2-prop-1-enyl-1,3-dioxolan-2-yl)acetaldehyde

C8H12O3 — CID 142653371

IUPAC2-(2-prop-1-enyl-1,3-dioxolan-2-yl)acetaldehyde
SMILESCC=CC1(CC=O)OCCO1
InChIInChI=1S/C8H12O3/c1-2-3-8(4-5-9)10-6-7-11-8/h2-3,5H,4,6-7H2,1H3
InChIKeyOYWGNLFOAPCONH-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.89
Rot. Bonds3

About 2-(2-prop-1-enyl-1,3-dioxolan-2-yl)acetaldehyde

2-(2-prop-1-enyl-1,3-dioxolan-2-yl)acetaldehyde (PubChem CID 142653371) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-(2-prop-1-enyl-1,3-dioxolan-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-prop-1-enyl-1,3-dioxolan-2-yl)acetaldehyde
PubChem CID142653371
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name2-(2-prop-1-enyl-1,3-dioxolan-2-yl)acetaldehyde
SMILESCC=CC1(CC=O)OCCO1
InChIInChI=1S/C8H12O3/c1-2-3-8(4-5-9)10-6-7-11-8/h2-3,5H,4,6-7H2,1H3
InChIKeyOYWGNLFOAPCONH-UHFFFAOYSA-N
XLogP0.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-[(E)-prop-1-enyl]-1,3-dioxolane
CID 10855469
2-(2-methyloxiran-2-yl)acetaldehyde
CID 14691612
2-[2-(3-oxobutyl)-1,3-dioxolan-2-yl]acetaldehyde
CID 71390522
6-methyl-6-[(E)-prop-1-enyl]-1,4,8,11-tetraoxadispiro[4.1.47.35]tetradecane
CID 11436734
2-but-2-enyl-2-methyl-1,3-dioxolane
CID 162417486
2-(2-methyloxan-2-yl)acetaldehyde
CID 165478002
2-(4-methoxyoxan-4-yl)acetaldehyde
CID 105430923
2-[(E)-2-chloroethenyl]-2-propyl-1,3-dioxolane
CID 11789753
2-(7,7-dimethyl-1,4-dioxaspiro[4.4]nonan-9-yl)acetaldehyde
CID 10910494
2-(3-ethoxyoxolan-3-yl)acetaldehyde
CID 105430914
2-(1-methylcyclopropyl)acetaldehyde
CID 13464501
methyl 4-(2-oxoethyl)oxane-4-carboxylate
CID 58468045

Frequently Asked Questions

What is the IUPAC name of 2-(2-prop-1-enyl-1,3-dioxolan-2-yl)acetaldehyde?
The IUPAC name of 2-(2-prop-1-enyl-1,3-dioxolan-2-yl)acetaldehyde (CID 142653371) is 2-(2-prop-1-enyl-1,3-dioxolan-2-yl)acetaldehyde.
What is the SMILES notation for 2-(2-prop-1-enyl-1,3-dioxolan-2-yl)acetaldehyde?
The canonical SMILES for 2-(2-prop-1-enyl-1,3-dioxolan-2-yl)acetaldehyde is CC=CC1(CC=O)OCCO1.
What is the InChIKey of 2-(2-prop-1-enyl-1,3-dioxolan-2-yl)acetaldehyde?
The InChIKey is OYWGNLFOAPCONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-2-3-8(4-5-9)10-6-7-11-8/h2-3,5H,4,6-7H2,1H3.
What are the key properties of 2-(2-prop-1-enyl-1,3-dioxolan-2-yl)acetaldehyde?
2-(2-prop-1-enyl-1,3-dioxolan-2-yl)acetaldehyde has a molecular weight of 156.18 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-1-enyl-1,3-dioxolan-2-yl)acetaldehyde is sourced from PubChem (CID 142653371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).