(5-Acetyloxy-2,5-dimethylhex-3-yn-2-yl) acetate
Basic information
- CAS
34106-07-5- Standard SMILES
CC(=O)OC(C)(C)C#CC(C)(C)OC(C)=O- InChIKey
JTSBDFUPOCMOBR-UHFFFAOYSA-N- Molecular formula
- C12H18O4
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.12050905
Names & identifiers
- Preferred name
- (5-Acetyloxy-2,5-dimethylhex-3-yn-2-yl) acetate
- IUPAC
- (5-acetyloxy-2,5-dimethylhex-3-yn-2-yl) acetate
Names & synonyms
(5-acetyloxy-2,5-dimethylhex-3-yn-2-yl) acetate34106-07-5NSC4099762,5-Diacetoxy-2,5-dimethyl-3-hexyneSCHEMBL9466291DTXSID103253972,5-diacetoxy-2,5-dimethylhex-3-yneNSC-4099762,5-Dimethylhex-3-yne-2,5-diyl diacetateQ63409173
Database identifiers
- CAS
34106-07-5- PubChem CID
- 349979
- DTXSID
DTXSID10325397- Nikkaji
- J47.277H
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 320
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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