2,3,4,5-Bis(epoxy)-3,4-bis(4'-acetoxyphenyl)hexane
Basic information
- CAS
82699-02-3- Standard SMILES
CC(=O)Oc1ccc(C2(C)OC2C2OC2(C)c2ccc(OC(C)=O)cc2)cc1- InChIKey
HXSQEOUGTWYIRU-UHFFFAOYSA-N- Molecular formula
- C22H22O6
- Average molar mass
- 382.4 g/mol
- Monoisotopic mass
- 382.14163842
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2,3,4,5-Bis(epoxy)-3,4-bis(4'-acetoxyphenyl)hexane
- IUPAC
- [4-[3-[3-(4-acetyloxyphenyl)-3-methyloxiran-2-yl]-2-methyloxiran-2-yl]phenyl] acetate
- English name
- 2,3,4,5-bis(epoxy)-3,4-bis(4'-acetoxyphenyl)hexane
- Molecular weight
- 0
Names & synonyms
2,3,4,5-Bebah82699-02-32,3,4,5-Bis(epoxy)-3,4-bis(4'-acetoxyphenyl)hexanePhenol, 4,4'-(3,3'-dimethyl(2,2'-bioxirane)-2,2'-diyl)bis-, diacetate, (2alpha(2'R*,3'S*),3beta)-RefChem:81232[4-[3-[3-(4-acetyloxyphenyl)-3-methyloxiran-2-yl]-2-methyloxiran-2-yl]phenyl] acetateDTXSID7010028542,5-Bis[4-(acetyloxy)phenyl]-2,3:4,5-dianhydro-1,6-dideoxyhexitol
Database identifiers
- CAS
82699-02-3- PubChem CID
- 134073
- DTXSID
DTXSID701002854
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 565
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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