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3-Methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one

HCID 123769700
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

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

Related reactions

1 records
New reaction record
HRID 1205341 reaction equation
HRID 1205341As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes