(5-Benzylfuran-3-yl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
Basic information
- CAS
52341-31-8- Standard SMILES
CC1(C)[C@H](C(=O)OCc2coc(Cc3ccccc3)c2)[C@@H]1C=C(Cl)Cl- InChIKey
NKISTTWJULDICJ-WMZOPIPTSA-N- Molecular formula
- C20H20Cl2O3
- Average molar mass
- 379.3 g/mol
- Monoisotopic mass
- 378.0789499
Names & identifiers
- Preferred name
- (5-Benzylfuran-3-yl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
- IUPAC
- trans-(5-benzylfuran-3-yl)methyl (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
Names & synonyms
DTXSID1096672952341-31-8(5-Benzylfuran-3-yl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylateRefChem:1050562DTXCID301394354NRDC 141Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, (5-(phenylmethyl)-3-furanyl)methyl ester, cis-(+-)-SCHEMBL11249448(5-Benzylfuran-3-yl)methyl (1R,3R)-3-(2,2-dichloroethen-1-yl)-2,2-dimethylcyclopropane-1-carboxylate
Database identifiers
- CAS
52341-31-8- PubChem CID
- 40325
- DTXSID
DTXSID10966729
Properties
Computed structural properties
- XLogP
- 6.4
- 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
- 507
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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