(5-benzylfuran-3-yl)methyl (3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate

• ChemBase ID: 129247
• Molecular Formular: C22H26O3
• Molecular Mass: 338.44004
• Monoisotopic Mass: 338.18819469
• SMILES: O=C(OCc1cc(Cc2ccccc2)oc1)C1[C@@H](C=C(C)C)C1(C)C
• Canonical SMILES: CC(=C[C@@H]1C(C1(C)C)C(=O)OCc1coc(c1)Cc1ccccc1)C
• InChI: InChI=1S/C22H26O3/c1-15(2)10-19-20(22(19,3)4)21(23)25-14-17-12-18(24-13-17)11-16-8-6-5-7-9-16/h5-10,12-13,19-20H,11,14H2,1-4H3/t19-,20?/m1/s1
• InChIKey: VEMKTZHHVJILDY-FIWHBWSRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-benzylfuran-3-yl)methyl (3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate
• IUPAC Traditional name: resmethrin
• Synonyms: Resmethrin

Database IDs

• CAS Number: 10453-86-8
• PubChem SID: 162223541
• PubChem CID: 23615950
• Chemspider ID: 19952179
• KEGG ID: C10991
• Wikipedia Title: Resmethrin

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.067613
• LogD (pH = 7.4): 5.067613
• Log P: 5.067613
• Molar Refractivity: 99.8796 cm^3
• Polarizability: 38.600327 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false