tert-butyl 2-[6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate

tert-butyl 2-[6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate

Formula: C14H23NO4

SMILES: CC(C)(C)OC(=O)CC1CC(CC#N)OC(C)(C)O1

IUPAC: tert-butyl 2-[6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate

InChI: InChI=1/C14H23NO4/c1-13(2,3)19-12(16)9-11-8-10(6-7-15)17-14(4,5)18-11/h10-11H,6,8-9H2,1-5H3

Composition: C (62.43%), H (8.61%), N (5.20%), O (23.76%)

Molar Mass: 269.341

Atom Count: 42

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	269.162708225
Formal Charge	0
FSP3	0.86
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	DPNRMEJBKMQHMC-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.09
Topological Polar Surface Area	68.55
Polarizability	27.82
Ring Count	1
Rotatable Bond Count	5

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C14H23NO4		Quote Only