1,7-Bis(3,5-di-tert-butyl-4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
Basic information
- CAS
1431370-00-1- Standard SMILES
CC(C)(C)c1cc(C=CC(=O)CC(=O)C=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O- InChIKey
FRLWDHDIQCJLBE-UHFFFAOYSA-N- Molecular formula
- C35H48O4
- Average molar mass
- 532.8 g/mol
- Monoisotopic mass
- 532.35526001
Names & identifiers
- Preferred name
- 1,7-Bis(3,5-di-tert-butyl-4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
- IUPAC
- 1,7-bis(3,5-ditert-butyl-4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
Names & synonyms
SCHEMBL44505761,7-Bis(3,5-di-tert-butyl-4-hydroxyphenyl)-1,6-heptadiene-3,5-dioneDTXSID508737461431370-00-1NCI60_0376531,7-bis(3,5-di-tert-butyl-4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
Database identifiers
- CAS
1431370-00-1- PubChem CID
- 397492
- DTXSID
DTXSID50873746
Properties
Computed structural properties
- XLogP
- 9.9
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 777
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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