3-Ethyl-6-(3,4-methylenedioxyphenyl)-3-hexenyl iodide

HCID 54373451

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCC(=CCCc1ccc2c(c1)OCO2)CCI
InChIKey: UUVJVMPOLJUADJ-UHFFFAOYSA-N
Molecular formula: C15H19IO2
Average molar mass: 358.21 g/mol

Names & identifiers

Preferred name: 3-Ethyl-6-(3,4-methylenedioxyphenyl)-3-hexenyl iodide
IUPAC: 5-(4-ethyl-6-iodohex-3-enyl)-1,3-benzodioxole

Names & synonyms

SCHEMBL11392185UUVJVMPOLJUADJ-UHFFFAOYSA-N3-ethyl-6-(3,4-methylenedioxyphenyl)-3-hexenyl iodide

Database identifiers

PubChem CID: 54373451

Properties

Computed structural properties

XLogP: 5.7
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 6
Heavy atoms: 18
Formal charge: 0
Complexity: 278

Related reactions

7 records

New reaction record

HRID 306830 reaction equation

HRID 306830As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 426876 reaction equation

HRID 426876As reactantuspto-grants-1979_10

HRID 839156 reaction equation

HRID 839156As reactantuspto-grants-1978_06

HRID 839157 reaction equation

HRID 839157As reactantuspto-grants-1978_06

HRID 1449223 reaction equation

HRID 1449223As reactantuspto-grants-1980_02

HRID 1553044 reaction equation

HRID 1553044As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1680758 reaction equation

HRID 1680758As reactantuspto-grants-1981_06

Compound notes

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