10479-42-2 Purity
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Specification
The molecular formula of methyl farnesoate is C16H26O2.
The molecular weight of methyl farnesoate is 250.38 g/mol.
The IUPAC name of methyl farnesoate is methyl (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoate.
The InChI of methyl farnesoate is InChI=1S/C16H26O2/c1-13(2)8-6-9-14(3)10-7-11-15(4)12-16(17)18-5/h8,10,12H,6-7,9,11H2,1-5H3/b14-10+,15-12+.
The InChIKey of methyl farnesoate is NWKXNIPBVLQYAB-VDQVFBMKSA-N.
The canonical SMILES of methyl farnesoate is CC(=CCCC(=CCCC(=CC(=O)OC)C)C)C.
The CAS number of methyl farnesoate is 10485-70-8.
The ChEMBL ID of methyl farnesoate is CHEMBL171329.
The hydrogen bond donor count of methyl farnesoate is 0.
The hydrogen bond acceptor count of methyl farnesoate is 2.
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