4-ethenyl-6-ethyl-1,3-benzodioxole

C11H12O2 — CID 89425863

IUPAC4-ethenyl-6-ethyl-1,3-benzodioxole
SMILESC=Cc1cc(CC)cc2c1OCO2
InChIInChI=1S/C11H12O2/c1-3-8-5-9(4-2)11-10(6-8)12-7-13-11/h4-6H,2-3,7H2,1H3
InChIKeyDKQVGBOTETZKBL-UHFFFAOYSA-N
MW176.21 g/mol
LogP2.62
Rot. Bonds2

About 4-ethenyl-6-ethyl-1,3-benzodioxole

4-ethenyl-6-ethyl-1,3-benzodioxole (PubChem CID 89425863) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 4-ethenyl-6-ethyl-1,3-benzodioxole.

Molecular Properties

Compound Name4-ethenyl-6-ethyl-1,3-benzodioxole
PubChem CID89425863
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name4-ethenyl-6-ethyl-1,3-benzodioxole
SMILESC=Cc1cc(CC)cc2c1OCO2
InChIInChI=1S/C11H12O2/c1-3-8-5-9(4-2)11-10(6-8)12-7-13-11/h4-6H,2-3,7H2,1H3
InChIKeyDKQVGBOTETZKBL-UHFFFAOYSA-N
XLogP2.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-6-ethyl-1,3-benzodioxole
CID 130065754
5-ethyl-1,3-benzodioxole;N-methylethanamine
CID 158103316
(1S)-1-(6-ethenyl-4-methoxy-1,3-benzodioxol-5-yl)ethane-1,2-diamine
CID 66517897
ethanol;5-prop-2-enyl-1,3-benzodioxole
CID 175326771
5-ethenyl-6-methoxy-1,3-benzodioxole
CID 102182518
6-methyl-1,3-benzodioxole-4-carbaldehyde
CID 58304897
5-ethenyl-6-iodo-1,3-benzodioxole
CID 57443645
6-ethenyl-1,3-benzodioxole-5-carbaldehyde
CID 11159619
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]prop-2-en-1-amine
CID 115572023
1-(7-methyl-1,3-benzodioxol-5-yl)propan-2-ol
CID 117284494
6,8-diethyl-1,3-benzodioxin-4-one
CID 59104761
acetylene;5-ethyl-1,3-benzodioxole;2-methylpropane
CID 142810291

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-6-ethyl-1,3-benzodioxole?
The IUPAC name of 4-ethenyl-6-ethyl-1,3-benzodioxole (CID 89425863) is 4-ethenyl-6-ethyl-1,3-benzodioxole.
What is the SMILES notation for 4-ethenyl-6-ethyl-1,3-benzodioxole?
The canonical SMILES for 4-ethenyl-6-ethyl-1,3-benzodioxole is C=Cc1cc(CC)cc2c1OCO2.
What is the InChIKey of 4-ethenyl-6-ethyl-1,3-benzodioxole?
The InChIKey is DKQVGBOTETZKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-3-8-5-9(4-2)11-10(6-8)12-7-13-11/h4-6H,2-3,7H2,1H3.
What are the key properties of 4-ethenyl-6-ethyl-1,3-benzodioxole?
4-ethenyl-6-ethyl-1,3-benzodioxole has a molecular weight of 176.21 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-6-ethyl-1,3-benzodioxole is sourced from PubChem (CID 89425863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).