6-ethenyl-1,3-benzodioxole-5-carbaldehyde

C10H8O3 — CID 11159619

IUPAC6-ethenyl-1,3-benzodioxole-5-carbaldehyde
SMILESC=Cc1cc2c(cc1C=O)OCO2
InChIInChI=1S/C10H8O3/c1-2-7-3-9-10(13-6-12-9)4-8(7)5-11/h2-5H,1,6H2
InChIKeyVEOJRDCXQNTLDN-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.87
Rot. Bonds2

About 6-ethenyl-1,3-benzodioxole-5-carbaldehyde

6-ethenyl-1,3-benzodioxole-5-carbaldehyde (PubChem CID 11159619) has the molecular formula C10H8O3 and a molecular weight of 176.17 g/mol. Its IUPAC name is 6-ethenyl-1,3-benzodioxole-5-carbaldehyde.

Molecular Properties

Compound Name6-ethenyl-1,3-benzodioxole-5-carbaldehyde
PubChem CID11159619
Molecular FormulaC10H8O3
Molecular Weight176.17 g/mol
Exact Mass176.05
IUPAC Name6-ethenyl-1,3-benzodioxole-5-carbaldehyde
SMILESC=Cc1cc2c(cc1C=O)OCO2
InChIInChI=1S/C10H8O3/c1-2-7-3-9-10(13-6-12-9)4-8(7)5-11/h2-5H,1,6H2
InChIKeyVEOJRDCXQNTLDN-UHFFFAOYSA-N
XLogP1.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.87
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

6-fluoro-1,3-benzodioxole-5-carbaldehyde
CID 14384443
5-ethenyl-6-iodo-1,3-benzodioxole
CID 57443645
5-ethenyl-6-methoxy-1,3-benzodioxole
CID 102182518
3-(6-formyl-1,3-benzodioxol-5-yl)-2,3-dihydroxypropanoic acid
CID 170824702
6-buta-2,3-dienoxy-1,3-benzodioxole-5-carbaldehyde
CID 121001988
6-(1,2-dihydroxy-3-sulfanylpropyl)-1,3-benzodioxole-5-carbaldehyde
CID 170820622
6-(3-azidoprop-1-enyl)-1,3-benzodioxole-5-carbaldehyde
CID 169462417
benzo[g][1,3]benzodioxole-5-carbaldehyde
CID 12524007
5H-[1,3]dioxolo[4,5-f]indole-7-carbaldehyde
CID 22605383
6-bromo-1,3-benzodioxole-5-carbaldehyde;5-bromo-6-nitro-1,3-benzodioxole
CID 158841753
6-methyl-1,3-benzodioxole-4-carbaldehyde
CID 58304897
6-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carbaldehyde
CID 3145231

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-1,3-benzodioxole-5-carbaldehyde?
The IUPAC name of 6-ethenyl-1,3-benzodioxole-5-carbaldehyde (CID 11159619) is 6-ethenyl-1,3-benzodioxole-5-carbaldehyde.
What is the SMILES notation for 6-ethenyl-1,3-benzodioxole-5-carbaldehyde?
The canonical SMILES for 6-ethenyl-1,3-benzodioxole-5-carbaldehyde is C=Cc1cc2c(cc1C=O)OCO2.
What is the InChIKey of 6-ethenyl-1,3-benzodioxole-5-carbaldehyde?
The InChIKey is VEOJRDCXQNTLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3/c1-2-7-3-9-10(13-6-12-9)4-8(7)5-11/h2-5H,1,6H2.
What are the key properties of 6-ethenyl-1,3-benzodioxole-5-carbaldehyde?
6-ethenyl-1,3-benzodioxole-5-carbaldehyde has a molecular weight of 176.17 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-1,3-benzodioxole-5-carbaldehyde is sourced from PubChem (CID 11159619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).