bis(ethyl 3-oxohexanoate)

bis(ethyl 3-oxohexanoate)

CAS: 3249-68-1

Formula: C16H28O6

SMILES: CCCC(=O)CC(=O)OCC.CCCC(=O)CC(=O)OCC

IUPAC: bis(ethyl 3-oxohexanoate)

InChI: InChI=1S/2C8H14O3/c21-3-5-7(9)6-8(10)11-4-2/h23-6H2,1-2H3

Composition: C (60.74%), H (8.92%), O (30.34%)

Molar Mass: 316.394

Atom Count: 50

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	316.188588622
Formal Charge	0
FSP3	0.75
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	IKHATPUEQJVDSR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.28
Topological Polar Surface Area	43.37
Polarizability	16.33
Ring Count	0
Rotatable Bond Count	12

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