Basic information
- CAS
4506-36-9- Standard SMILES
Cc1ccc(C)c2c1C=CCC2C- InChIKey
YJFOZRTWRVNHOG-UHFFFAOYSA-N- Molecular formula
- C13H16
- Average molar mass
- 172.27 g/mol
- Monoisotopic mass
- 172.12520051
Overview
1,2-Dihydro-1,5,8-trimethylnaphthalene has been reported in Cistus creticus with data available.
Names & identifiers
- Preferred name
- 1,2-Dihydro-1,5,8-trimethylnaphthalene
- IUPAC
- 1,5,8-trimethyl-1,2-dihydronaphthalene
- English name
- 1,4,5-trimethyl-5,6-dihydronaphthalene
- Molecular formula
- C13H16
- Molecular weight
- 172.27
Names & synonyms
1,5,8-Trimethyl-1,2-dihydronaphthalene4506-36-91,2-DIHYDRO-1,5,8-TRIMETHYLNAPHTHALENENaphthalene, 1,2-dihydro-1,5,8-trimethyl-Y6D44B0088UNII-Y6D44B0088RefChem:71900YJFOZRTWRVNHOG-UHFFFAOYSA-N1,4,5-TRIMETHYL-5,6-DIHYDRONAPHTHALENESCHEMBL5576599SCHEMBL31573810DTXSID501377164
Show more names
1,5,8-Trimethyl-1,2-dihydronaphthalene #
Database identifiers
- CAS
4506-36-9- PubChem CID
- 20595
- DTXSID
DTXSID501377164- UNII
- Y6D44B0088
- Nikkaji
- J113.377B
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 204
Physicochemical properties
- Boiling point
- 82.4 °C · 82.4 °C(Press: 0.5 Torr)
- Density
- 0.946 · 0.946±0.06 g/cm3(Predicted)
- FDA UNII
- 6 D44B0088 · Y6D44B0088
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…