Basic information
- CAS
53718-27-7- Standard SMILES
CC(C)(C)c1cc2c(cc1O)C(C)(C)CC2(C)C- InChIKey
PMNVVCYFXVWMON-UHFFFAOYSA-N- Molecular formula
- C17H26O
- Average molar mass
- 246.4 g/mol
- Monoisotopic mass
- 246.19836545
Names & identifiers
- Preferred name
- 6-(tert-Butyl)-1,1,3,3-tetramethylindan-5-ol
- IUPAC
- 6-tert-butyl-1,1,3,3-tetramethyl-2H-inden-5-ol
- English name
- 6-(tert-butyl)-1,1,3,3-tetramethylindan-5-ol
- Molecular formula
- C17H26O
- Molecular weight
- 246.39
Names & synonyms
6-(tert-Butyl)-1,1,3,3-tetramethylindan-5-ol53718-27-7EINECS 258-716-6SCHEMBL11160785DTXSID402019736-tert-butyl-1,1,3,3-tetramethyl-2,3-dihydro-1H-inden-5-olDB-317897NS000328215-hydroxy-6-tert.-butyl-1,1,3,3-tetramethyl indane6-(1,1-Dimethylethyl)-2,3-dihydro-1,1,3,3-tetramethyl-1H-inden-5-ol1H-Inden-5-ol, 6-(1,1-dimethylethyl)-2,3-dihydro-1,1,3,3-tetramethyl-
Database identifiers
- CAS
53718-27-7- PubChem CID
- 104568
- DTXSID
DTXSID40201973- EC Number
- 258-716-6
- Nikkaji
- J296.020F
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 321
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 312.1 · 312.1±31.0 °C(Predicted)
- Density
- 0.945 · 0.945±0.06 g/cm3(Predicted)
- pka
- 11.78 · 11.78±0.60(Predicted)
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
1 records
Compound notes
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