[(3R)-3,7-dimethyloct-6-enyl] 2,2-dimethylbutanoate
Basic information
- CAS
74499-50-6- Standard SMILES
CCC(C)(C)C(=O)OCC[C@H](C)CCC=C(C)C- InChIKey
WVINEFVOGWNJFA-CQSZACIVSA-N- Molecular formula
- C16H30O2
- Average molar mass
- 254.41 g/mol
- Monoisotopic mass
- 254.2245802
Names & identifiers
- Preferred name
- [(3R)-3,7-dimethyloct-6-enyl] 2,2-dimethylbutanoate
- IUPAC
- [(3R)-3,7-dimethyloct-6-enyl] 2,2-dimethylbutanoate
Database identifiers
- CAS
74499-50-6- PubChem CID
- 3085997
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 273
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…