4,4,5,5-tetramethyl-2-(3-{2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethoxy}phenyl)-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-(3-{2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethoxy}phenyl)-1,3,2-dioxaborolane

CAS: 1073353-94-2

Formula: C26H36B2O6

SMILES: CC1(C)OB(OC1(C)C)C1=CC(OCCOC2=CC(=CC=C2)B2OC(C)(C)C(C)(C)O2)=CC=C1

IUPAC: 4,4,5,5-tetramethyl-2-(3-{2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethoxy}phenyl)-1,3,2-dioxaborolane

InChI: InChI=1S/C26H36B2O6/c1-23(2)24(3,4)32-27(31-23)19-11-9-13-21(17-19)29-15-16-30-22-14-10-12-20(18-22)28-33-25(5,6)26(7,8)34-28/h9-14,17-18H,15-16H2,1-8H3

Composition: C (66.99%), H (7.78%), B (4.64%), O (20.59%)

Molar Mass: 466.19

Atom Count: 70

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	466.269799
Formal Charge	0
FSP3	0.54
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	YWPDALDGIWYANS-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	122.38
Topological Polar Surface Area	55.38
Polarizability	52.3
Ring Count	4
Rotatable Bond Count	7

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