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ethyl 1-acetylcyclohexane-1-carboxylate

ethyl 1-acetylcyclohexane-1-carboxylate

CAS: 1132-86-1

Formula: C11H18O3

SMILES: CCOC(=O)C1(CCCCC1)C(C)=O

IUPAC: ethyl 1-acetylcyclohexane-1-carboxylate

InChI: InChI=1S/C11H18O3/c1-3-14-10(13)11(9(2)12)7-5-4-6-8-11/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 NJQOQWYCTZWWOT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.13
Topological Polar Surface Area 43.37
Polarizability 21.11
Ring Count 1
Rotatable Bond Count 4

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