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2,6-di-tert-butyl-4-methylcyclohexan-1-one

2,6-di-tert-butyl-4-methylcyclohexan-1-one

CAS: 23790-39-8

Formula: C15H28O

SMILES: CC1CC(C(=O)C(C1)C(C)(C)C)C(C)(C)C

IUPAC: 2,6-di-tert-butyl-4-methylcyclohexan-1-one

InChI: InChI=1/C15H28O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h10-12H,8-9H2,1-7H3

Composition: C (80.29%), H (12.58%), O (7.13%)

Molar Mass: 224.388

Atom Count: 44

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 224.214015522
Formal Charge 0
FSP3 0.93
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey LDPDMUPXRDWOPE-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.19
Topological Polar Surface Area 17.07
Polarizability 27.72
Ring Count 1
Rotatable Bond Count 2

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