Basic information
- CAS
5689-12-3- Standard SMILES
CC1(C)C(=O)C(C)(C)c2ccccc21- InChIKey
KBFUPRLHCWUTGK-UHFFFAOYSA-N- Molecular formula
- C13H16O
- Average molar mass
- 188.26 g/mol
- Monoisotopic mass
- 188.12011513
Names & identifiers
- Preferred name
- 1,1,3,3-Tetramethyl-2-indanone
- IUPAC
- 1,1,3,3-tetramethylinden-2-one
Names & synonyms
5689-12-31,1,3,3-tetramethylinden-2-one1,1,3,3-TETRAMETHYL-2-INDANONE1,1,3,3-Tetramethyl-1,3-dihydro-2H-inden-2-one1,1,3,3-tetramethyl-2,3-dihydro-1H-inden-2-oneSCHEMBL5677134DTXSID40205411KBFUPRLHCWUTGK-UHFFFAOYSA-N1,1,3,3-tetramethyl-indan-2-one1,1,3,3-tetramethyl-inden-2-one2-Indanone, 1,1,3,3-tetramethyl-AKOS024263440
Show more names
EN300-86124001,1,3,3-Tetramethyl-1,3-dihydro-2H-inden-2-one #2H-Inden-2-one, 1,3-dihydro-1,1,3,3-tetramethyl-
Database identifiers
- CAS
5689-12-3- PubChem CID
- 21889
- DTXSID
DTXSID40205411- EC Number
- 194-556-2
- Nikkaji
- J103.768D
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 236
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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