3,3,7-Trimethyl-1,2,3,4-tetrahydrochrysene
Basic information
- CAS
65755-17-1- Standard SMILES
Cc1cccc2c1ccc1c3c(ccc12)CCC(C)(C)C3- InChIKey
RTVDSTXNADETPK-UHFFFAOYSA-N- Molecular formula
- C21H22
- Average molar mass
- 274.4 g/mol
- Monoisotopic mass
- 274.1721507
Names & identifiers
- Preferred name
- 3,3,7-Trimethyl-1,2,3,4-tetrahydrochrysene
- IUPAC
- 3,3,7-trimethyl-2,4-dihydro-1H-chrysene
Names & synonyms
3,3,7-TRIMETHYL-1,2,3,4-TETRAHYDROCHRYSENE65755-17-1Chrysene, 1,2,3,4-tetrahydro-3,3,7-trimethyl-DTXSID10984286
Database identifiers
- CAS
65755-17-1- PubChem CID
- 47721
- DTXSID
DTXSID10984286- Nikkaji
- J1.621.489B
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 381
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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