Basic information
- Standard SMILES
Cc1cc2c(cc1[N+](=O)[O-])C(C)(C)CCC2(C)C- InChIKey
KUXVNYLIMHYPOE-UHFFFAOYSA-N- Molecular formula
- C15H21NO2
- Average molar mass
- 247.33 g/mol
Names & identifiers
- Preferred name
- 1,1,4,4,6-Pentamethyl-7-nitro-1,2,3,4-tetrahydronaphthalene
- IUPAC
- 1,1,4,4,6-pentamethyl-7-nitro-2,3-dihydronaphthalene
Names & synonyms
NSC17401116233-16-0SCHEMBL9868157KUXVNYLIMHYPOE-UHFFFAOYSA-N1,1,4,4,6-pentamethyl-7-nitro-1,2,3,4-tetrahydronaphthaleneNSC-17401SY5179152-methyl-3-nitro-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl naphthalene
Database identifiers
- PubChem CID
- 226689
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 343
Related reactions
3 records
Compound notes
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