Basic information
- CAS
81968-65-2- Standard SMILES
CC(=O)OCC1C(C=C(C)C)C1(C)C- InChIKey
OTWVMTYIYNDIOQ-UHFFFAOYSA-N- Molecular formula
- C12H20O2
- Average molar mass
- 196.29 g/mol
- Monoisotopic mass
- 196.14632988
Overview
[2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl acetate has been reported in Tanacetum vulgare with data available.
Names & identifiers
- Preferred name
- [2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl acetate
- IUPAC
- [2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl acetate
Names & synonyms
81968-65-2NSC 31314[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl acetateNSC31314SCHEMBL1325686DTXSID20283414[2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropyl]methyl acetateNSC-31314
Database identifiers
- CAS
81968-65-2- PubChem CID
- 233175
- DTXSID
DTXSID20283414
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 259
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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