Basic information
- Standard SMILES
C#CC(O)c1cc2c(cc1C)C(C)(C)CCC2(C)C- InChIKey
ATPXSZDPTDKJBE-UHFFFAOYSA-N- Molecular formula
- C18H24O
- Average molar mass
- 256.4 g/mol
- Monoisotopic mass
- 256.18271539
Names & identifiers
- Preferred name
- alpha-Ethynyl-5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenemethanol
- IUPAC
- 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-2-yn-1-ol
Names & synonyms
SCHEMBL7709251ATPXSZDPTDKJBE-UHFFFAOYSA-Nalpha-ethynyl-5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenemethanol
Database identifiers
- PubChem CID
- 22361502
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 384
Related reactions
7 records
Compound notes
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