Cas no 112710-42-6 (2-Cyclohexen-1-one,3-methyl-5-(1-methylethyl)-, (R)- (9CI))

2-Cyclohexen-1-one,3-methyl-5-(1-methylethyl)-, (R)- (9CI) structure
112710-42-6 structure
Product Name:2-Cyclohexen-1-one,3-methyl-5-(1-methylethyl)-, (R)- (9CI)
CAS No:112710-42-6
MF:C10H16O
MW:152.233443260193
CID:129882
PubChem ID:15565116
Update Time:2025-04-19

2-Cyclohexen-1-one,3-methyl-5-(1-methylethyl)-, (R)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 2-Cyclohexen-1-one,3-methyl-5-(1-methylethyl)-, (R)- (9CI)
    • 112710-42-6
    • (5R)-3-Methyl-5-propan-2-ylcyclohex-2-en-1-one
    • 2-Cyclohexen-1-one,3-methyl-5-(1-methylethyl)-,(R)-(9CI)
    • Inchi: 1S/C10H16O/c1-7(2)9-4-8(3)5-10(11)6-9/h5,7,9H,4,6H2,1-3H3/t9-/m1/s1
    • InChI Key: XHJJEWBMBSQVCJ-SECBINFHSA-N
    • SMILES: O=C1C=C(C)C[C@H](C1)C(C)C

Computed Properties

  • Exact Mass: 152.12018
  • Monoisotopic Mass: 152.120115130g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 189
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07
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