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(1's,4'r)-4'-pentyl-[1,1'-bi(cyclohexane)]-4-one

(1's,4'r)-4'-pentyl-[1,1'-bi(cyclohexane)]-4-one

CAS: 84868-02-0

Formula: C17H30O

SMILES: CCCCC[C@H]1CC[C@@H](CC1)C1CCC(=O)CC1

IUPAC: (1's,4'r)-4'-pentyl-[1,1'-bi(cyclohexane)]-4-one

InChI: InChI=1/C17H30O/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(18)13-11-16/h14-16H,2-13H2,1H3/t14-,15-

Composition: C (81.54%), H (12.08%), O (6.39%)

Molar Mass: 250.426

Atom Count: 48

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 250.229665586
Formal Charge 0
FSP3 0.94
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey OZLFNAZSDVXEFU-SHTZXODSNA-N
Lipinski's Rule of Five
Molar Refractivity 76.9
Topological Polar Surface Area 17.07
Polarizability 30.68
Ring Count 2
Rotatable Bond Count 5

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