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

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

CAS: 82832-73-3

Formula: C15H26O

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

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

InChI: InChI=1/C15H26O/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(16)11-9-14/h12-14H,2-11H2,1H3/t12-,13-

Composition: C (81.02%), H (11.79%), O (7.19%)

Molar Mass: 222.372

Atom Count: 42

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 222.198365457
Formal Charge 0
FSP3 0.93
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey AKCZQKBKWXBJOF-JOCQHMNTNA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.7
Topological Polar Surface Area 17.07
Polarizability 26.99
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 82832-73-3 $34.05-$44.14$34.05$44.14
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