2,6,6-Trimethylcyclohept-1-en-1-yl acetate
Basic information
- CAS
30452-01-8- Standard SMILES
CC(=O)OC1=C(C)CCCC(C)(C)C1- InChIKey
DOISGBZGBFUZQG-UHFFFAOYSA-N- Molecular formula
- C12H20O2
- Average molar mass
- 196.29 g/mol
- Monoisotopic mass
- 196.14632988
Names & identifiers
- Preferred name
- 2,6,6-Trimethylcyclohept-1-en-1-yl acetate
- IUPAC
- (2,6,6-trimethylcyclohepten-1-yl) acetate
Names & synonyms
30452-01-8NSC 1263372,6,6-trimethylcyclohept-1-en-1-yl acetateNSC126337DTXSID30298817NSC-126337
Database identifiers
- CAS
30452-01-8- PubChem CID
- 277458
- DTXSID
DTXSID30298817
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 261
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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