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4,8,12-Trimethyltrideca-3,7,11-trienoxymethoxymethylbenzene (HCID 57247652)|Huagongshe
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Compound
4,8,12-Trimethyltrideca-3,7,11-trienoxymethoxymethylbenzene
HCID
57247652
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Properties
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Compound notes
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Basic information
Standard SMILES
CC(C)=CCCC(C)=CCCC(C)=CCCOCOCc1ccccc1
InChIKey
ROKVIIWSUDJCLT-UHFFFAOYSA-N
Molecular formula
C24H36O2
Average molar mass
356.5 g/mol
Names & identifiers
Preferred name
4,8,12-Trimethyltrideca-3,7,11-trienoxymethoxymethylbenzene
IUPAC
4,8,12-trimethyltrideca-3,7,11-trienoxymethoxymethylbenzene
Database identifiers
PubChem CID
57247652
Properties
Computed structural properties
XLogP
7.2
Topological polar surface area
18.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
13
Heavy atoms
26
Formal charge
0
Complexity
435
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Related reactions
1 records
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As reactant
As product
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As solvent
HRID
172189
As product
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Compound notes
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