3,3,4,6-Tetramethyl-1-indanone
Basic information
- CAS
55255-42-0- Standard SMILES
Cc1cc(C)c2c(c1)C(=O)CC2(C)C- InChIKey
UPJMNGPDWQHLKW-UHFFFAOYSA-N- Molecular formula
- C13H16O
- Average molar mass
- 188.26 g/mol
- Monoisotopic mass
- 188.12011513
Names & identifiers
- Preferred name
- 3,3,4,6-Tetramethyl-1-indanone
- IUPAC
- 3,3,4,6-tetramethyl-2H-inden-1-one
- English name
- 3,3,4,6-Tetramethyl-1-indanone
- Molecular formula
- C13H16O
- Molecular weight
- 188.27
Names & synonyms
3,3,4,6-Tetramethyl-1-indanone55255-42-0DTXSID70344807RefChem:270090DTXCID902958823,3,4,6-tetramethyl-2,3-dihydro-1H-inden-1-one3,3,4,6-tetramethyl-2H-inden-1-oneBenzo[b]dihydrofuran, 3,3,4,6-tetramethyl-1H-Inden-1-one, 2,3-dihydro-3,3,4,6-tetramethyl-SCHEMBL9056337UPJMNGPDWQHLKW-UHFFFAOYSA-N3,3,4,6-Tetramethyl-1-indanone #
Show more names
AKOS018397123DB-303992
Database identifiers
- CAS
55255-42-0- PubChem CID
- 599679
- DTXSID
DTXSID70344807- Nikkaji
- J133.543J
Properties
Computed structural properties
- XLogP
- 3.3
- 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
- 254
Physicochemical properties
- Boiling point
- 309 · 309.0±42.0 °C(Predicted)
- Density
- 1.012 · 1.012±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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