3-phenylpropyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)octanoate

Systemtic Name: 3-phenylpropyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)octanoate Openeye Name: 3-phenylpropyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)octanoate CAS Name: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)octanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)octanoate Traditional Name: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)caprylic acid 3-phenylpropyl ester Formula: C23H37BO4 MolecularWeight: 388.34848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B1(OC(C(O1)(C)C)(C)C)C(CCCC)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

B1(OC(C(O1)(C)C)(C)C)C(CCCC)CCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C23H37BO4/c1-6-7-15-20(24-27-22(2,3)23(4,5)28-24)16-17-21(25)26-18-11-14-19-12-9-8-10-13-19/h8-10,12-13,20H,6-7,11,14-18H2,1-5H3