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13163-74-1 | Cyclohexanone, 2-methyl-5-(1-methylethyl)-, (2R,5S)-
CAS No: 13163-74-1 Catalog No: AG000ZJT MDL No:
Product Description
Catalog Number:
AG000ZJT
Chemical Name:
Cyclohexanone, 2-methyl-5-(1-methylethyl)-, (2R,5S)-
CAS Number:
13163-74-1
Molecular Formula:
C10H18O
Molecular Weight:
154.2493
IUPAC Name:
(2R,5S)-2-methyl-5-propan-2-ylcyclohexan-1-one
InChI:
InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1
InChI Key:
GCRTVIUGJCJVDD-BDAKNGLRSA-N
SMILES:
CC([C@H]1CC[C@H](C(=O)C1)C)C
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
154.136g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.253g/mol
Monoisotopic Mass:
154.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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