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ethyl 5,5-dimethyl-3-oxohexanoate

ethyl 5,5-dimethyl-3-oxohexanoate

CAS: 5435-91-6

Formula: C10H18O3

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

IUPAC: ethyl 5,5-dimethyl-3-oxohexanoate

InChI: InChI=1S/C10H18O3/c1-5-13-9(12)6-8(11)7-10(2,3)4/h5-7H2,1-4H3

Composition: C (64.49%), H (9.74%), O (25.77%)

Molar Mass: 186.251

Atom Count: 31

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 186.12559444
Formal Charge 0
FSP3 0.8
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey PVBDWJORUZWRDN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.31
Topological Polar Surface Area 43.37
Polarizability 20
Ring Count 0
Rotatable Bond Count 6

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