Basic information
- CAS
35455-61-9- Standard SMILES
CC(C)(C)c1cc(C(C)(C)C)c(O)c(Cc2c(O)c(C(C)(C)C)cc(C(C)(C)C)c2O)c1O- InChIKey
BDENIXXGMSURKB-UHFFFAOYSA-N- Molecular formula
- C29H44O4
- Average molar mass
- 456.7 g/mol
- Monoisotopic mass
- 456.32395988
Names & identifiers
- Preferred name
- 2,2'-Methylenebis(4,6-di-tert-butylbenzene-1,3-diol)
- IUPAC
- 4,6-ditert-butyl-2-[(3,5-ditert-butyl-2,6-dihydroxyphenyl)methyl]benzene-1,3-diol
Names & synonyms
35455-61-9DTXSID509568662,2'-methylenebis(4,6-di-tert-butylbenzene-1,3-diol)RefChem:1058902DTXCID6013848192,2'-Methylenebis(4,6-di-tert-butylresorcinol)1,3-Benzenediol, 2,2'-methylenebis(4,6-bis(1,1-dimethylethyl)-2,2'-Methylenebis(4,6-bis(1,1-dimethylethyl)-1,3-benzenediol)SCHEMBL11883439
Database identifiers
- CAS
35455-61-9- PubChem CID
- 215325
- DTXSID
DTXSID50956866
Properties
Computed structural properties
- XLogP
- 9.1
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 536
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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