Basic information
- CAS
30316-19-9- Standard SMILES
CC1=CCc2c(C)ccc(C)c2C1- InChIKey
IHKOCLLCECPECA-UHFFFAOYSA-N- Molecular formula
- C13H16
- Average molar mass
- 172.27 g/mol
- Monoisotopic mass
- 172.12520051
Names & identifiers
- Preferred name
- 1,4-Dihydro-2,5,8-trimethylnaphthalene
- IUPAC
- 2,5,8-trimethyl-1,4-dihydronaphthalene
- English name
- 1,4,6-trimethyl-5,8-dihydronaphthalene
- Molecular formula
- C13H16
- Molecular weight
- 172.27
Names & synonyms
1,4-DIHYDRO-2,5,8-TRIMETHYLNAPHTHALENE30316-19-9DTXSID60184411RefChem:220527DTXCID701069022,5,8-Trimethyl-1,4-dihydronaphthaleneNaphthalene, 1,4-dihydro-2,5,8-trimethyl-IHKOCLLCECPECA-UHFFFAOYSA-N2,5,8-Trimethyl-1,4-dihydronaphthalene #1,4,6-trimethyl-5,8-dihydronaphthalene
Database identifiers
- CAS
30316-19-9- PubChem CID
- 34883
- DTXSID
DTXSID60184411- Nikkaji
- J102.375F
Properties
Computed structural properties
- XLogP
- 3.7
- 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
- 261.2 · 261.2±35.0 °C(Predicted)
- Density
- 0.956 · 0.956±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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