Basic information
- Standard SMILES
C#CC1(OC)CCC(C2CCC(CCC)CC2)CC1- InChIKey
FFGDIBJHIAANOF-UHFFFAOYSA-N- Molecular formula
- C18H30O
- Average molar mass
- 262.4 g/mol
- Monoisotopic mass
- 262.22966558
Names & identifiers
- Preferred name
- 4-Ethynyl-4-methoxy-4'-propylbicyclohexyl
- IUPAC
- 1-ethynyl-1-methoxy-4-(4-propylcyclohexyl)cyclohexane
Names & synonyms
SCHEMBL6894429FFGDIBJHIAANOF-UHFFFAOYSA-N4-ethynyl-4-methoxy-4'-propylbicyclohexyl
Database identifiers
- PubChem CID
- 18364508
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 308
Related reactions
6 records
Compound notes
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