Dibenzyl Cyclohexane-1,4-dicarboxylate

HCID 10689331

Notes Reactions

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Basic information

CAS: 62787-85-3
Standard SMILES: O=C(OCc1ccccc1)C1CCC(C(=O)OCc2ccccc2)CC1
InChIKey: JTCRQLVSMPPNJI-UHFFFAOYSA-N
Molecular formula: C22H24O4
Average molar mass: 352.4 g/mol
Monoisotopic mass: 352.16745925

Names & identifiers

Preferred name: Dibenzyl Cyclohexane-1,4-dicarboxylate
IUPAC: dibenzyl cyclohexane-1,4-dicarboxylate

Names & synonyms

Dibenzyl Cyclohexane-1,4-dicarboxylate81693-40-562787-85-3SCHEMBL6666657SCHEMBL10917021DTXSID20443576JTCRQLVSMPPNJI-MXVIHJGJSA-N1,4-Cyclohexanedicarboxylic acid, bis(phenylmethyl) ester, trans-dibenzyl trans-1,4-cyclohexanedicarboxylate

Database identifiers

CAS: 62787-85-3
PubChem CID: 10689331
DTXSID: DTXSID20443576
Nikkaji: J1.331.045I、J1.331.052A

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 26
Formal charge: 0
Complexity: 399

Related reactions

1 records

New reaction record

HRID 2160276As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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