3-Methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-yl acetate
Basic information
- CAS
76649-19-9- Standard SMILES
CC(=O)OC(C)C(C)=CC1=C(C)CCCC1(C)C- InChIKey
OAJKZBWQHVYGAI-UHFFFAOYSA-N- Molecular formula
- C16H26O2
- Average molar mass
- 250.38 g/mol
- Monoisotopic mass
- 250.19328007
Names & identifiers
- Preferred name
- 3-Methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-yl acetate
- IUPAC
- [3-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl] acetate
Names & synonyms
OAJKZBWQHVYGAI-UHFFFAOYSA-N3-methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-yl acetate
Database identifiers
- CAS
76649-19-9- PubChem CID
- 173531
- DTXSID
DTXSID10888518
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 386
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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