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163119-16-2 | Cyclohexanol, 2,6-bis(1,1-dimethylethyl)-4-methyl-
CAS No: 163119-16-2 Catalog No: AG001TS2 MDL No:MFCD00278493
Product Description
Catalog Number:
AG001TS2
Chemical Name:
Cyclohexanol, 2,6-bis(1,1-dimethylethyl)-4-methyl-
CAS Number:
163119-16-2
Molecular Formula:
C15H30O
Molecular Weight:
226.3981
MDL Number:
MFCD00278493
IUPAC Name:
2,6-ditert-butyl-4-methylcyclohexan-1-ol
InChI:
InChI=1S/C15H30O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h10-13,16H,8-9H2,1-7H3
InChI Key:
OIXQKWDQCODZGF-UHFFFAOYSA-N
SMILES:
CC1CC(C(C(C1)C(C)(C)C)O)C(C)(C)C
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.23g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.404g/mol
Monoisotopic Mass:
226.23g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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