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2-Methylene-3,4-(dimethylmethylenedioxy)-5-(methoxymethoxy)cyclohexanone

HCID 19011007
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Basic information

Standard SMILES
C=C1C(=O)CC(OCOC)C2OC(C)(C)OC12
InChIKey
BKIPGVMEFXAXGF-UHFFFAOYSA-N
Molecular formula
C12H18O5
Average molar mass
242.27 g/mol

Names & identifiers

Preferred name
2-Methylene-3,4-(dimethylmethylenedioxy)-5-(methoxymethoxy)cyclohexanone
IUPAC
7-(methoxymethoxy)-2,2-dimethyl-4-methylidene-3a,6,7,7a-tetrahydro-1,3-benzodioxol-5-one

Names & synonyms

SCHEMBL9201641BKIPGVMEFXAXGF-UHFFFAOYSA-N2-methylene-3,4-(dimethylmethylenedioxy)-5-(methoxymethoxy)cyclohexanone

Database identifiers

PubChem CID
19011007

Properties

Computed structural properties

XLogP
0.3
Topological polar surface area
54 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
17
Formal charge
0
Complexity
336

Related reactions

2 records
New reaction record
HRID 213180 reaction equation
HRID 213180As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 1741961 reaction equation
HRID 1741961As productuspto-grants-1994_08

Compound notes

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