1,3,8-Trimethylnaphthalene
Basic information
- CAS
17057-91-9- Standard SMILES
Cc1cc(C)c2c(C)cccc2c1- InChIKey
XYTKCJHHXQVFCK-UHFFFAOYSA-N- Molecular formula
- C13H14
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.10955045
Names & identifiers
- Preferred name
- 1,3,8-Trimethylnaphthalene
- IUPAC
- 1,3,8-trimethylnaphthalene
- English name
- Trimethylnaphthalene
- Molecular formula
- C13H14
- Molecular weight
- 170.25
Names & synonyms
1,3,8-TRIMETHYLNAPHTHALENE17057-91-9Naphthalene, 1,3,8-trimethyl-X3MOE579W5RefChem:1052657241-121-02,4,5-TrimethylnaphthaleneTrimethylnaphthaleneNaphthalene, trimethyl-MFCD0132119628652-77-9UNII-X3MOE579W5
Show more names
1,3,8-trimethyl-naphthaleneEINECS 241-121-0245-TrimethylnaphthaleneTRIMETHYL NAPHTHALENESCHEMBL598921SCHEMBL5255578DTXSID001358991AKOS022181083
Database identifiers
- CAS
17057-91-9、28652-77-9- PubChem CID
- 28226
- DTXSID
DTXSID001358991- UNII
- X3MOE579W5
- EC Number
- 241-121-0
- Nikkaji
- J318.338F
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 173
Experimental & physicochemical properties
LogP4.52
Physicochemical properties
- FDA UNII
- 3 MOE579W5 · X3MOE579W5
- EPA Substance Registry System
- Trimethylnaphthalene (28652-77-9)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…