Cas no 6051-08-7 (3-oxaspiro5.5undecan-2-one)

3-oxaspiro5.5undecan-2-one structure
3-oxaspiro5.5undecan-2-one structure
Product Name:3-oxaspiro5.5undecan-2-one
CAS No:6051-08-7
MF:C10H16O2
MW:168.232843399048
MDL:MFCD01710326
CID:1620083
PubChem ID:22412
Update Time:2025-04-21

3-oxaspiro5.5undecan-2-one Chemical and Physical Properties

Names and Identifiers

    • 3-oxaspiro[5.5]undecan-2-one
    • 3-oxaspiro5.5undecan-2-one
    • SCHEMBL4687385
    • DTXSID80209256
    • beta,beta-Pentamethylen-omega-valerolacton
    • beta,beta-Pentamethylen-omega-valerolacton [German]
    • BRN 0121985
    • 3-Oxa-spiro[5.5]undecan-2-one
    • 3-OXASPIRO(5,5)UNDECAN-2-ONE
    • 6051-08-7
    • 5-17-09-00230 (Beilstein Handbook Reference)
    • PBCKZQMQHOUENP-UHFFFAOYSA-N
    • EN300-227184
    • 3-oxaspiro[5.5]undecan-4-one
    • MDL: MFCD01710326
    • Inchi: 1S/C10H16O2/c11-9-8-10(6-7-12-9)4-2-1-3-5-10/h1-8H2
    • InChI Key: PBCKZQMQHOUENP-UHFFFAOYSA-N
    • SMILES: O1C(CC2(CC1)CCCCC2)=O

Computed Properties

  • Exact Mass: 168.11508
  • Monoisotopic Mass: 168.11503
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 180
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 26.3
  • XLogP3: 2.8

Experimental Properties

  • Density: 1.04
  • Boiling Point: 273.2°C at 760 mmHg
  • Flash Point: 109°C
  • Refractive Index: 1.487
  • PSA: 26.3

3-oxaspiro5.5undecan-2-one Pricemore >>

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