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115793-80-1 | Cyclohexane, 1,3-bis(1,1-dimethylethyl)-5-methyl-
CAS No: 115793-80-1 Catalog No: AG000GVD MDL No:
Product Description
Catalog Number:
AG000GVD
Chemical Name:
Cyclohexane, 1,3-bis(1,1-dimethylethyl)-5-methyl-
CAS Number:
115793-80-1
Molecular Formula:
C15H30
Molecular Weight:
210.3987
IUPAC Name:
1,3-ditert-butyl-5-methylcyclohexane
InChI:
InChI=1S/C15H30/c1-11-8-12(14(2,3)4)10-13(9-11)15(5,6)7/h11-13H,8-10H2,1-7H3
InChI Key:
FOENJJLISVGOQR-UHFFFAOYSA-N
SMILES:
CC1CC(CC(C1)C(C)(C)C)C(C)(C)C
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.235g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.405g/mol
Monoisotopic Mass:
210.235g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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