5-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde

C8H12O3 — CID 14188252

IUPAC5-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
SMILESC=CC1OC(C)(C)OC1C=O
InChIInChI=1S/C8H12O3/c1-4-6-7(5-9)11-8(2,3)10-6/h4-7H,1H2,2-3H3
InChIKeyAMXAGLAPRRVGDY-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.89
Rot. Bonds2

About 5-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde

5-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde (PubChem CID 14188252) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 5-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde.

Molecular Properties

Compound Name5-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
PubChem CID14188252
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name5-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
SMILESC=CC1OC(C)(C)OC1C=O
InChIInChI=1S/C8H12O3/c1-4-6-7(5-9)11-8(2,3)10-6/h4-7H,1H2,2-3H3
InChIKeyAMXAGLAPRRVGDY-UHFFFAOYSA-N
XLogP0.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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'}

Analyze 5-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde 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 5-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
The IUPAC name of 5-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde (CID 14188252) is 5-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde.
What is the SMILES notation for 5-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
The canonical SMILES for 5-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde is C=CC1OC(C)(C)OC1C=O.
What is the InChIKey of 5-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
The InChIKey is AMXAGLAPRRVGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-4-6-7(5-9)11-8(2,3)10-6/h4-7H,1H2,2-3H3.
What are the key properties of 5-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
5-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde has a molecular weight of 156.18 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde is sourced from PubChem (CID 14188252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).