4,4,5,5-tetramethyl-2-(4-octylthiophen-2-yl)-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-(4-octylthiophen-2-yl)-1,3,2-dioxaborolane

CAS: 405165-12-0

Formula: C18H31BO2S

SMILES: CCCCCCCCC1=CSC(=C1)B1OC(C)(C)C(C)(C)O1

IUPAC: 4,4,5,5-tetramethyl-2-(4-octylthiophen-2-yl)-1,3,2-dioxaborolane

InChI: InChI=1S/C18H31BO2S/c1-6-7-8-9-10-11-12-15-13-16(22-14-15)19-20-17(2,3)18(4,5)21-19/h13-14H,6-12H2,1-5H3

Composition: C (67.08%), H (9.69%), B (3.35%), O (9.93%), S (9.95%)

Molar Mass: 322.31

Atom Count: 53

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	322.213781
Formal Charge	0
FSP3	0.78
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	RKYWQDDPNVTJJQ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	89.23
Topological Polar Surface Area	18.46
Polarizability	37.32
Ring Count	2
Rotatable Bond Count	8

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98%	<14 Days	405165-12-0		Quote Only