Basic information
- Standard SMILES
Cc1cc2c(c(O)c1C=O)C(C)(C)CCC2(C)C- InChIKey
ZGCGRJAPSIJUHV-UHFFFAOYSA-N- Molecular formula
- C16H22O2
- Average molar mass
- 246.34 g/mol
- Monoisotopic mass
- 246.16197994
Names & identifiers
- Preferred name
- 2-Formyl-1-hydroxy-3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalene
- IUPAC
- 1-hydroxy-3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbaldehyde
Names & synonyms
SCHEMBL9221684ZGCGRJAPSIJUHV-UHFFFAOYSA-N2-formyl-1-hydroxy-3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalene
Database identifiers
- PubChem CID
- 19095166
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 332
Related reactions
6 records
Compound notes
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