2,5,8-Trimethyl-1-tetralone
Basic information
- CAS
10468-59-4- Standard SMILES
Cc1ccc(C)c2c1CCC(C)C2=O- InChIKey
PKGVLPASJKWUPK-UHFFFAOYSA-N- Molecular formula
- C13H16O
- Average molar mass
- 188.26 g/mol
- Monoisotopic mass
- 188.12011513
Names & identifiers
- Preferred name
- 2,5,8-Trimethyl-1-tetralone
- IUPAC
- 2,5,8-trimethyl-3,4-dihydro-2H-naphthalen-1-one
- English name
- 3,4-Dihydro-2,5,8-trimethyl-1(2H)-naphthalenone
- Molecular formula
- C13H16O
- Molecular weight
- 188.27
Names & synonyms
2,5,8-Trimethyl-1-tetralone10468-59-43,4-Dihydro-2,5,8-trimethyl-1(2H)-naphthalenone2,5,8-Trimethyl-3,4-dihydro-1(2H)-naphthalenone2,5,8-trimethyl-3,4-dihydro-2H-naphthalen-1-oneNSC804341(2H)-Naphthalenone, 3,4-dihydro-2,5,8-trimethyl-2,8-Trimethyl-1-tetralone1(2H)-Naphthalenone,3,4-dihydro-2,5,8-trimethyl-DTXSID90292134PKGVLPASJKWUPK-UHFFFAOYSA-NNSC-80434
Show more names
3,5,8-trimethyl-1(2H)naphthalenoneDS-0079801(2H)-Naphthalenone,4-dihydro-2,5,8-trimethyl-2,8-Trimethyl-3,4-dihydro-1(2H)-naphthalenone3,4-Dihydro-2,5,8-trimethyl-1(2H)naphthalenone2,5,8-Trimethyl-3,4-dihydronaphthalen-1(2H)-one
Database identifiers
- CAS
10468-59-4- PubChem CID
- 255177
- DTXSID
DTXSID90292134- Nikkaji
- J103.769B
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- Boiling point
- 319.1 · 319.1±42.0 °C(Predicted)
- Density
- 1.016 · 1.016±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
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