(-)-trans-Resmethrin
Basic information
- CAS
33911-28-3- Standard SMILES
CC(C)=C[C@@H]1[C@@H](C(=O)OCc2ccc(Cc3ccccc3)o2)C1(C)C- InChIKey
SSUJIHXQXFBEJN-UXHICEINSA-N- Molecular formula
- C22H26O3
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.18819469
Names & identifiers
- Preferred name
- (-)-trans-Resmethrin
- IUPAC
- cis-(5-benzylfuran-2-yl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
- English name
- (-)-trans-resmethrin
- Molecular formula
- C22H26O3
- Molecular weight
- 338.44004
Names & synonyms
(-)-trans-Resmethrin33911-28-3Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, (5-benzyl-3-furyl)methyl ester, (-)-(E)-DTXSID301875355-Benzyl-3-furylmethyl (-)-trans-chrysanthemateRefChem:203762DTXCID90110026SSUJIHXQXFBEJN-UXHICEINSA-N(5-Benzylfuran-2-yl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate(+)-trans-resmethrin
Database identifiers
- CAS
33911-28-3- PubChem CID
- 36625
- DTXSID
DTXSID30187535
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 497
Physicochemical properties
- Boiling point
- 414.57 °C · 414.57°C (rough estimate)
- Density
- 1.1412 · 1.1412 (rough estimate)
- refractive index
- 1.5 · 1.5000 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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