1,1,4,7-Tetramethylindan
Basic information
- CAS
1078-04-2- Standard SMILES
Cc1ccc(C)c2c1CCC2(C)C- InChIKey
IFZVSOLCUIWLFW-UHFFFAOYSA-N- Molecular formula
- C13H18
- Average molar mass
- 174.28 g/mol
- Monoisotopic mass
- 174.14085057
Names & identifiers
- Preferred name
- 1,1,4,7-Tetramethylindan
- IUPAC
- 3,3,4,7-tetramethyl-1,2-dihydroindene
- English name
- 1,1,4,7-Tetramethylindane
- Molecular formula
- C13H18
- Molecular weight
- 174.28
Names & synonyms
1,1,4,7-Tetramethylindan1,1,4,7-Tetramethylindane1078-04-21H-Indene, 2,3-dihydro-1,1,4,7-tetramethyl-3,3,4,7-tetramethyl-1,2-dihydroindeneIndan, 1,1,4,7-tetramethyl-1,1,4,7-tetramethyl-2,3-dihydro-1H-indene1,1,4,7-Tetramethyl IndaneSCHEMBL9770701DTXSID2074299AKOS006317424DB-238100
Show more names
2,3-dihydro-1,1,4-7-tetramethyl-1H-indene
Database identifiers
- CAS
1078-04-2- PubChem CID
- 517895
- DTXSID
DTXSID2074299- Nikkaji
- J102.456F
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 192
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -7.5 °C · -7.5°C (estimate)
- Boiling point
- 265.28 °C · 265.28°C (estimate)
- Density
- 0.934 · 0.9340
- refractive index
- 1.5216 · 1.5216
- EPA Substance Registry System
- 1 · 1,1,4,7-Tetramethylindan (1078-04-2)
Related reactions
1 records
Compound notes
Loading…