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Compound
3-Methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one
HCID
123769700
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Properties
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Basic information
Standard SMILES
CC1(OCc2ccccc2)C(=O)OC(COCc2ccccc2)C1OCc1ccccc1
InChIKey
ZUKLJYUQEPQYQA-UHFFFAOYSA-N
Molecular formula
C27H28O5
Average molar mass
432.5 g/mol
Monoisotopic mass
432.19367399
Names & identifiers
Preferred name
3-Methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one
IUPAC
3-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one
Database identifiers
PubChem CID
123769700
Properties
Computed structural properties
XLogP
4.3
Topological polar surface area
54 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
10
Heavy atoms
32
Formal charge
0
Complexity
562
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Related reactions
1 records
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As solvent
HRID
1205341
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Compound notes
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