ethyl 2-cyano-2-ethyl-3-methylhexanoate

ethyl 2-cyano-2-ethyl-3-methylhexanoate

CAS: 100453-11-0

Formula: C12H21NO2

SMILES: CCCC(C)C(CC)(C#N)C(=O)OCC

IUPAC: ethyl 2-cyano-2-ethyl-3-methylhexanoate

InChI: InChI=1/C12H21NO2/c1-5-8-10(4)12(6-2,9-13)11(14)15-7-3/h10H,5-8H2,1-4H3

Composition: C (68.21%), H (10.02%), N (6.63%), O (15.14%)

Molar Mass: 211.305

Atom Count: 36

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	211.15722892
Formal Charge	0
FSP3	0.83
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	FOGOQVLUCORCHH-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.51
Topological Polar Surface Area	50.09
Polarizability	23.44
Ring Count	0
Rotatable Bond Count	7

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