ethyl 1-ethyl-4-oxocyclohexane-1-carboxylate

ethyl 1-ethyl-4-oxocyclohexane-1-carboxylate

CAS: 59032-71-2

Formula: C11H18O3

SMILES: CCOC(=O)C1(CC)CCC(=O)CC1

IUPAC: ethyl 1-ethyl-4-oxocyclohexane-1-carboxylate

InChI: InChI=1S/C11H18O3/c1-3-11(10(13)14-4-2)7-5-9(12)6-8-11/h3-8H2,1-2H3

Composition: C (66.64%), H (9.15%), O (24.21%)

Molar Mass: 198.262

Atom Count: 32

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	198.12559444
Formal Charge	0
FSP3	0.82
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	DHQTYJFKOHBZOM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.11
Topological Polar Surface Area	43.37
Polarizability	21.11
Ring Count	1
Rotatable Bond Count	4

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