ethyl 2-ethyl-2-methyl-3-oxobutanoate

ethyl 2-ethyl-2-methyl-3-oxobutanoate

CAS: 33697-53-9

Formula: C9H16O3

SMILES: CCOC(=O)C(C)(CC)C(C)=O

IUPAC: ethyl 2-ethyl-2-methyl-3-oxobutanoate

InChI: InChI=1/C9H16O3/c1-5-9(4,7(3)10)8(11)12-6-2/h5-6H2,1-4H3

Composition: C (62.77%), H (9.36%), O (27.87%)

Molar Mass: 172.224

Atom Count: 28

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	172.109944375
Formal Charge	0
FSP3	0.78
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	NWMTWESXONQJPU-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.73
Topological Polar Surface Area	43.37
Polarizability	18.16
Ring Count	0
Rotatable Bond Count	5

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