2-[3-(hexyloxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[3-(hexyloxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

CAS: 921937-75-9

Formula: C18H29BO3

SMILES: CCCCCCOC1=CC=CC(=C1)B1OC(C)(C)C(C)(C)O1

IUPAC: 2-[3-(hexyloxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

InChI: InChI=1S/C18H29BO3/c1-6-7-8-9-13-20-16-12-10-11-15(14-16)19-21-17(2,3)18(4,5)22-19/h10-12,14H,6-9,13H2,1-5H3

Composition: C (71.06%), H (9.61%), B (3.55%), O (15.78%)

Molar Mass: 304.24

Atom Count: 51

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	304.220975
Formal Charge	0
FSP3	0.67
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	DOWXUZRGEFPXCO-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	85.25
Topological Polar Surface Area	27.69
Polarizability	35.74
Ring Count	2
Rotatable Bond Count	7

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