Basic information
- CAS
53718-30-2- Standard SMILES
CCC1(C)CC(C)(C)c2cc(O)ccc21- InChIKey
ZWXLWYJXJMJPSB-UHFFFAOYSA-N- Molecular formula
- C14H20O
- Average molar mass
- 204.31 g/mol
- Monoisotopic mass
- 204.15141526
Names & identifiers
- Preferred name
- 1-Ethyl-1,3,3-trimethylindan-5-ol
- IUPAC
- 1-ethyl-1,3,3-trimethyl-2H-inden-5-ol
- English name
- 1-ethyl-1,3,3-trimethylindan-5-ol
- Molecular formula
- C14H20O
- Molecular weight
- 204.31
Names & synonyms
1-Ethyl-1,3,3-trimethylindan-5-ol53718-30-2EINECS 258-719-21-Ethyl-1,3,3-trimethyl-2,3-dihydro-1H-inden-5-ol1H-Inden-5-ol,1-ethyl-2,3-dihydro-1,3,3-trimethyl-SCHEMBL11159812DTXSID809684775-hydroxy-1,3,3-trimethyl-1-ethyl indaneDB-312124NS000578061-Ethyl-2,3-dihydro-1,3,3-trimethyl-1H-inden-5-ol1H-Inden-5-ol, 1-ethyl-2,3-dihydro-1,3,3-trimethyl-
Database identifiers
- CAS
53718-30-2- PubChem CID
- 104571
- DTXSID
DTXSID80968477- EC Number
- 258-719-2
- Nikkaji
- J296.023K
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Boiling point
- 300.6 · 300.6±31.0 °C(Predicted)
- Density
- 0.966 · 0.966±0.06 g/cm3(Predicted)
- pka
- 10.39 · 10.39±0.60(Predicted)
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
1 records
Compound notes
Loading…