1,3-dimethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylate

1,3-dimethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylate

CAS: 944392-68-1

Formula: C16H21BO6

SMILES: COC(=O)C1=CC(=CC(=C1)B1OC(C)(C)C(C)(C)O1)C(=O)OC

IUPAC: 1,3-dimethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylate

InChI: InChI=1S/C16H21BO6/c1-15(2)16(3,4)23-17(22-15)12-8-10(13(18)20-5)7-11(9-12)14(19)21-6/h7-9H,1-6H3

Composition: C (60.03%), H (6.61%), B (3.38%), O (29.98%)

Molar Mass: 320.15

Atom Count: 44

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	320.143118
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	IGSNWXAGFXHYOG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	79.76
Topological Polar Surface Area	71.06
Polarizability	32.87
Ring Count	2
Rotatable Bond Count	5

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