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

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

CAS: 507462-90-0

Formula: C14H21BO3

SMILES: CC1=CC(O)=CC(C)=C1B1OC(C)(C)C(C)(C)O1

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

InChI: InChI=1S/C14H21BO3/c1-9-7-11(16)8-10(2)12(9)15-17-13(3,4)14(5,6)18-15/h7-8,16H,1-6H3

Composition: C (67.77%), H (8.53%), B (4.36%), O (19.34%)

Molar Mass: 248.13

Atom Count: 39

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	248.158375
Formal Charge	0
FSP3	0.57
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ZCBINMYCBLXSBG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.78
Topological Polar Surface Area	38.69
Polarizability	28.13
Ring Count	2
Rotatable Bond Count	1

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