Cas no 652986-75-9 (Cyclohexanone, 3-[(1S)-3-hydroxy-1-methylpropoxy]-)

Cyclohexanone, 3-[(1S)-3-hydroxy-1-methylpropoxy]- structure
652986-75-9 structure
Product Name:Cyclohexanone, 3-[(1S)-3-hydroxy-1-methylpropoxy]-
CAS No:652986-75-9
MF:C10H18O3
MW:186.248123645782
CID:401058
PubChem ID:71376219
Update Time:2025-04-19

Cyclohexanone, 3-[(1S)-3-hydroxy-1-methylpropoxy]- Chemical and Physical Properties

Names and Identifiers

    • Cyclohexanone, 3-[(1S)-3-hydroxy-1-methylpropoxy]-
    • 3-[(2S)-4-hydroxybutan-2-yl]oxycyclohexan-1-one
    • 652986-75-9
    • 3-{[(2S)-4-Hydroxybutan-2-yl]oxy}cyclohexan-1-one
    • DTXSID90798929
    • Inchi: 1S/C10H18O3/c1-8(5-6-11)13-10-4-2-3-9(12)7-10/h8,10-11H,2-7H2,1H3/t8-,10?/m0/s1
    • InChI Key: NRBYGQOJCDABEZ-PEHGTWAWSA-N
    • SMILES: O([C@@H](C)CCO)C1CC(CCC1)=O

Computed Properties

  • Exact Mass: 186.12564
  • Monoisotopic Mass: 186.125594432g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 168
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.4
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • PSA: 46.53
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