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87103-46-6 | Cyclohexanone, 4-(1,1,3,3-tetramethylbutyl)-
CAS No: 87103-46-6 Catalog No: AG004P7E MDL No:
Product Description
Catalog Number:
AG004P7E
Chemical Name:
Cyclohexanone, 4-(1,1,3,3-tetramethylbutyl)-
CAS Number:
87103-46-6
Molecular Formula:
C14H26O
Molecular Weight:
210.3556
IUPAC Name:
4-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-one
InChI:
InChI=1S/C14H26O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h11H,6-10H2,1-5H3
InChI Key:
WBFJYRIXOUDZDJ-UHFFFAOYSA-N
SMILES:
CC(C1CCC(=O)CC1)(CC(C)(C)C)C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.198g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.361g/mol
Monoisotopic Mass:
210.198g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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