Free Chemical Databases
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[Synonyms]
NSC177429
[Structure]
[ Properties Computed from Structure]
Molecular Weight 328.48828 [g/mol] Molecular Formula C22H32O2 XLogP 5.1 H-Bond Donor 0 H-Bond Acceptor 2 Rotatable Bond Count 2 Tautomer Count 2 Exact Mass 328.24023 MonoIsotopic Mass 328.24023 Topological Polar Surface Area 34.1 Heavy Atom Count 24 Formal Charge 0 Complexity 512 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 4-acetyl-2,2,3,3,5,5,6,6-octamethyl-4-phenylcyclohexan-1-one
Canonical SMILES: CC(=O)C1(C(C(C(=O)C(C1(C)C)(C)C)(C)C)(C)C)C2=CC=CC=C2
InChI: InChI=1/C22H32O2/c1-15(23)22(16-13-11-10-12-14-16)20(6,7)18(2,
3)17(24)19(4,5)21(22,8)9/h10-14H,1-9H3
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