1,1,3,3,6-Pentamethylindan-4-ol
Basic information
- CAS
53718-28-8- Standard SMILES
Cc1cc(O)c2c(c1)C(C)(C)CC2(C)C- InChIKey
KNNNLBDLVODXDQ-UHFFFAOYSA-N- Molecular formula
- C14H20O
- Average molar mass
- 204.31 g/mol
- Monoisotopic mass
- 204.15141526
Names & identifiers
- Preferred name
- 1,1,3,3,6-Pentamethylindan-4-ol
- IUPAC
- 1,1,3,3,6-pentamethyl-2H-inden-4-ol
- English name
- 1,1,3,3,6-pentamethylindan-4-ol
- Molecular formula
- C14H20O
- Molecular weight
- 204.31
Names & synonyms
1,1,3,3,6-Pentamethylindan-4-ol53718-28-81,1,3,3,6-Pentamethyl-2,3-dihydro-1H-inden-4-olEINECS 258-717-1SCHEMBL11157848DTXSID00201974KNNNLBDLVODXDQ-UHFFFAOYSA-NDB-300809NS000328222,3-Dihydro-1,1,3,3,6-pentamethyl-1H-inden-4-ol1H-Inden-4-ol, 2,3-dihydro-1,1,3,3,6-pentamethyl-
Database identifiers
- CAS
53718-28-8- PubChem CID
- 104569
- DTXSID
DTXSID00201974- EC Number
- 258-717-1
- Nikkaji
- J296.021D
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Boiling point
- 287.4 · 287.4±29.0 °C(Predicted)
- Density
- 0.972 · 0.972±0.06 g/cm3(Predicted)
- pka
- 10.53 · 10.53±0.60(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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