2-[3-(cyclopropylmethoxy)-5-methylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[3-(cyclopropylmethoxy)-5-methylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

CAS: 1218789-80-0

Formula: C17H25BO3

SMILES: CC1=CC(OCC2CC2)=CC(=C1)B1OC(C)(C)C(C)(C)O1

IUPAC: 2-[3-(cyclopropylmethoxy)-5-methylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

InChI: InChI=1S/C17H25BO3/c1-12-8-14(10-15(9-12)19-11-13-6-7-13)18-20-16(2,3)17(4,5)21-18/h8-10,13H,6-7,11H2,1-5H3

Composition: C (70.85%), H (8.74%), B (3.75%), O (16.65%)

Molar Mass: 288.19

Atom Count: 46

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	288.189675
Formal Charge	0
FSP3	0.65
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	WTNWSYMMRFNVGS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	79.16
Topological Polar Surface Area	27.69
Polarizability	33.08
Ring Count	3
Rotatable Bond Count	4

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