2-butyl-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione

2-butyl-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione

Formula: C9H16BNO4

SMILES: CCCCB1OC(=O)CN(C)CC(=O)O1

IUPAC: 2-butyl-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione

InChI: InChI=1S/C9H16BNO4/c1-3-4-5-10-14-8(12)6-11(2)7-9(13)15-10/h3-7H2,1-2H3

Composition: C (50.74%), H (7.57%), B (5.07%), N (6.57%), O (30.04%)

Molar Mass: 213.04

Atom Count: 31

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	213.117238
Formal Charge	0
FSP3	0.78
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	YVALLLRUHYHWPU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.88
Topological Polar Surface Area	55.84
Polarizability	21.66
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C9H16BNO4		Quote Only