Cas no 3971-54-8 (Cyclopropaneoctanoicacid, 2-octyl-, methyl ester, (1R,2S)-rel-)

Cyclopropaneoctanoicacid, 2-octyl-, methyl ester, (1R,2S)-rel- structure
3971-54-8 structure
Product Name:Cyclopropaneoctanoicacid, 2-octyl-, methyl ester, (1R,2S)-rel-
CAS No:3971-54-8
MF:C20H38O2
MW:310.514526844025
CID:314737
PubChem ID:107485
Update Time:2025-04-19

Cyclopropaneoctanoicacid, 2-octyl-, methyl ester, (1R,2S)-rel- Chemical and Physical Properties

Names and Identifiers

    • Cyclopropaneoctanoicacid, 2-octyl-, methyl ester, (1R,2S)-rel-
    • METHYL CIS-9,10-METHYLENEOCTADECANOATE
    • cis-9,10-methyleneoctadecanoic acid mthyl ester
    • cis-9,10-Methylen-octadecansaeure-methylester
    • Cyclopropaneoctanoic acid,2-octyl-,methyl ester,cis
    • Methyl 2-octylcyclopropaneoctanoate cis
    • METHYL DIHYDROSTERULATE
    • Methyl 2-octylcyclopropaneoctanoate cis-
    • DTXSID10960308
    • Cyclopropaneoctanoic acid, 2-octyl-, methyl ester, cis-
    • methyl 8-[(1s,2r)-2-octylcyclopropyl]octanoate
    • 3971-54-8
    • Methyl dihydrosterculate
    • Inchi： 1S/C20H38O2/c1-3-4-5-6-8-11-14-18-17-19(18)15-12-9-7-10-13-16-20(21)22-2/h18-19H,3-17H2,1-2H3/t18-,19+/m1/s1
    • InChI Key： WKDUVICSOMXTKJ-MOPGFXCFSA-N
    • SMILES： O(C)C(CCCCCCC[C@H]1C[C@H]1CCCCCCCC)=O

Computed Properties

  • Exact Mass: 310.28700
  • Monoisotopic Mass: 310.287
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 16
  • Complexity: 275
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 26.3A^2
  • XLogP3: 8.3

Experimental Properties

  • Density: 0.896
  • Boiling Point: 362.7 °C at 760 mmHg
  • Flash Point: 178.1 °C
  • Refractive Index: 1.457
  • PSA: 26.30000
  • LogP: 6.27680

Cyclopropaneoctanoicacid, 2-octyl-, methyl ester, (1R,2S)-rel- Pricemore >>

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