Basic information
- CAS
6682-06-0- Standard SMILES
Cc1cc(C)c2c(c1C)CCC2- InChIKey
NFLKDIOSDXSKTG-UHFFFAOYSA-N- Molecular formula
- C12H16
- Average molar mass
- 160.25 g/mol
- Monoisotopic mass
- 160.12520051
Names & identifiers
- Preferred name
- 4,5,7-Trimethylindan
- IUPAC
- 4,5,7-trimethyl-2,3-dihydro-1H-indene
- English name
- 4,5,7-Trimethylindan
- Molecular formula
- C12H16
- Molecular weight
- 160.26
Names & synonyms
4,5,7-TRIMETHYLINDAN6682-06-04,5,7-trimethyl-2,3-dihydro-1H-indeneIndan, 4,5,7-trimethyl-4,6,7-trimethyl-indane1H-Indene, 2,3-dihydro-4,5,7-trimethyl-4,5,7-Trimethylindane #DTXSID60216928NFLKDIOSDXSKTG-UHFFFAOYSA-N2,3-Dihydro-4,5,7-trimethyl-1H-indene
Database identifiers
- CAS
6682-06-0- PubChem CID
- 23150
- DTXSID
DTXSID60216928- Nikkaji
- J112.950C
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 161
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- LogP
- 4.582 · 4.582 (est)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…