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1,2-diethyl (1R,2R)-cyclohex-4-ene-1,2-dicarboxylate

1,2-diethyl (1R,2R)-cyclohex-4-ene-1,2-dicarboxylate

CAS: 5048-50-0

Formula: C12H18O4

SMILES: CCOC(=O)[C@@H]1CC=CC[C@H]1C(=O)OCC

IUPAC: 1,2-diethyl (1R,2R)-cyclohex-4-ene-1,2-dicarboxylate

InChI: InChI=1S/C12H18O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-6,9-10H,3-4,7-8H2,1-2H3/t9-,10+

Composition: C (63.70%), H (8.02%), O (28.28%)

Molar Mass: 226.272

Atom Count: 34

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 226.12050906
Formal Charge 0
FSP3 0.67
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey OWVOHDKOANTMJU-NXEZZACHSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.24
Topological Polar Surface Area 52.6
Polarizability 23.42
Ring Count 1
Rotatable Bond Count 6

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