6'-(tert-Butyl)-2',3'-dihydro-3',3'-dimethylspiro(cyclohexane-1,1'-(1H)indene)-5'-ol
Basic information
- CAS
53718-34-6- Standard SMILES
CC(C)(C)c1cc2c(cc1O)C(C)(C)CC21CCCCC1- InChIKey
CQDLYCCFORGHSV-UHFFFAOYSA-N- Molecular formula
- C20H30O
- Average molar mass
- 286.5 g/mol
- Monoisotopic mass
- 286.22966558
Names & identifiers
- Preferred name
- 6'-(tert-Butyl)-2',3'-dihydro-3',3'-dimethylspiro(cyclohexane-1,1'-(1H)indene)-5'-ol
- IUPAC
- 6-tert-butyl-3,3-dimethylspiro[2H-indene-1,1'-cyclohexane]-5-ol
- English name
- 6'-(tert-butyl)-2',3'-dihydro-3',3'-dimethylspiro[cyclohexane-1,1'-[1H]indene]-5'-ol
- Molecular formula
- C20H30O
- Molecular weight
- 286.45
Names & synonyms
53718-34-66'-(tert-Butyl)-2',3'-dihydro-3',3'-dimethylspiro(cyclohexane-1,1'-(1H)indene)-5'-olU63ZF3V3K2EINECS 258-722-96'-tert-butyl-3',3'-dimethyl-2',3'-dihydrospiro[cyclohexane-1,1'-inden]-5'-olUNII-U63ZF3V3K2SCHEMBL11163156DTXSID80201977CQDLYCCFORGHSV-UHFFFAOYSA-NSpiro(cyclohexane-1,1'-(1H)inden)-5'-ol, 6'-(1,1-dimethylethyl)-2',3'-dihydro-3',3'-dimethyl-NS000328256-(1,1-Dimethylethyl)-2,3-dihydro-3,3-dimethylspiro[1H-indene-1,1'-cyclohexan]-5-ol
Show more names
6'-(tert-butyl)-2',3'-dihydro-3',3'-dimethylspiro[cyclohexane-1,1'-[1H]indene]-5'-olSpiro[cyclohexane-1,1'-[1H]inden]-5'-ol, 6'-(1,1-dimethylethyl)-2',3'-dihydro-3',3'-dimethyl-
Database identifiers
- CAS
53718-34-6- PubChem CID
- 104573
- DTXSID
DTXSID80201977- UNII
- U63ZF3V3K2
- EC Number
- 258-722-9
- Nikkaji
- J296.026E
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 383
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- FDA UNII
- 63 ZF3V3K2 · U63ZF3V3K2
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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