Basic information
- CAS
55682-80-9- Standard SMILES
CC1=CCC(C)c2ccc(C)cc21- InChIKey
HQBMLUDYOSJUOR-UHFFFAOYSA-N- Molecular formula
- C13H16
- Average molar mass
- 172.27 g/mol
- Monoisotopic mass
- 172.12520051
Names & identifiers
- Preferred name
- 1,2-Dihydro-1,4,6-trimethylnaphthalene
- IUPAC
- 1,4,6-trimethyl-1,2-dihydronaphthalene
- English name
- 1,4,6-trimethyl-1,2-dihydronaphthalene
- Molecular formula
- C13H16
- Molecular weight
- 172.27
Names & synonyms
1,2-DIHYDRO-1,4,6-TRIMETHYLNAPHTHALENE55682-80-9RefChem:10522631,4,6-Trimethyl-1,2-dihydronaphthaleneNaphthalene, 1,2-dihydro-1,4,6-trimethyl-DTXSID90971038HQBMLUDYOSJUOR-UHFFFAOYSA-N1,4,6-Trimethyl-1,2-dihydronaphthalene #
Database identifiers
- CAS
55682-80-9- PubChem CID
- 41515
- DTXSID
DTXSID90971038- Nikkaji
- J110.642B
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Boiling point
- 135 · 135-138 °C(Press: 13 Torr)
- Density
- 0.937 · 0.937±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…