1,5,8-Trimethyl-1,2,3,4-tetrahydronaphthalene
Basic information
- CAS
21693-51-6- Standard SMILES
Cc1ccc(C)c2c1CCCC2C- InChIKey
OIIJXQMSEYQDDI-UHFFFAOYSA-N- Molecular formula
- C13H18
- Average molar mass
- 174.28 g/mol
- Monoisotopic mass
- 174.14085057
Overview
1,5,8-Trimethyl-1,2,3,4-tetrahydronaphthalene has been reported in Nicotiana tabacum with data available.
Names & identifiers
- Preferred name
- 1,5,8-Trimethyl-1,2,3,4-tetrahydronaphthalene
- IUPAC
- 1,5,8-trimethyl-1,2,3,4-tetrahydronaphthalene
- English name
- 1,5,8-Trimethyltetraline
- Molecular formula
- C13H18
- Molecular weight
- 174.28
Names & synonyms
21693-51-61,5,8-Trimethyl-1,2,3,4-tetrahydronaphthalene1,5,8-TRIMETHYLTETRALINE1,5,8-TRIMETHYLTETRALIN9IUN61E4YV1,5,8-Trimethyltetralin, (+/-)-Naphthalene, 1,2,3,4-tetrahydro-1,5,8-trimethyl-UNII-9IUN61E4YV1,2,3,4-TETRAHYDRO-1,5,8-TRIMETHYLNAPHTHALENESCHEMBL26910499DTXSID00944298OIIJXQMSEYQDDI-UHFFFAOYSA-N
Show more names
1,5,8-Trimethyltetralin in isooctane
AKOS006273625(+/-)-1,5,8-TRIMETHYLTETRALIN1,2,3,4-Tetrahydro-1,5,8-trimethyl-naphthaleneNAPHTHALENE, 1,2,3,4-TETRAHYDRO-4,5,8-TRIMETHYL-
Database identifiers
- CAS
21693-51-6- PubChem CID
- 30755
- DTXSID
DTXSID00944298- UNII
- 9IUN61E4YV
- Nikkaji
- J113.388H
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
- 173
Physicochemical properties
- Boiling point
- 260.7 · 260.7±35.0 °C(Predicted)
- Density
- 0.923 · 0.923±0.06 g/cm3(Predicted)
- FDA UNII
- 9 IUN61E4YV · 9IUN61E4YV
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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