Cas no 19900-85-7 (Heptane,3-[[1-[(2-ethylhexyl)oxy]-2-methylpropoxy]methyl]-)

Heptane,3-[[1-[(2-ethylhexyl)oxy]-2-methylpropoxy]methyl]- structure
19900-85-7 structure
Product Name:Heptane,3-[[1-[(2-ethylhexyl)oxy]-2-methylpropoxy]methyl]-
CAS No:19900-85-7
MF:C20H42O2
MW:314.546287059784
CID:155414
PubChem ID:89243
Update Time:2025-04-19

Heptane,3-[[1-[(2-ethylhexyl)oxy]-2-methylpropoxy]methyl]- Chemical and Physical Properties

Names and Identifiers

    • Heptane,3-[[1-[(2-ethylhexyl)oxy]-2-methylpropoxy]methyl]-
    • 3-[[1-(2-ethylhexoxy)-2-methylpropoxy]methyl]heptane
    • 1,1'-(Isobutylidenebis(oxy))bis(2-ethylhexane)
    • 3-({1-[(2-ethylhexyl)oxy]-2-methylpropoxy}methyl)heptane
    • 1,1'-[Isobutylidenebis(oxy)]bis[2-ethylhexane]
    • Isobutyraldehyde,bis(2-ethylhexyl)acetal
    • Einecs 243-422-2
    • Isobutyraldehyde 2-ethylhexylacetal
    • 1,1′-[Isobutylidenbis(oxy)]bis[2-ethylhexan]
    • 1,1'-[(2-Methylpropylidene)bisoxy]bis(2-ethylhexane)
    • NS00047304
    • SCHEMBL6683323
    • 19900-85-7
    • W-110505
    • DTXSID80941780
    • Inchi: 1S/C20H42O2/c1-7-11-13-18(9-3)15-21-20(17(5)6)22-16-19(10-4)14-12-8-2/h17-20H,7-16H2,1-6H3
    • InChI Key: BCZAQIZGCCZLOA-UHFFFAOYSA-N
    • SMILES: O(CC(CC)CCCC)C(C(C)C)OCC(CC)CCCC

Computed Properties

  • Exact Mass: 314.31866
  • Monoisotopic Mass: 314.318480578g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 15
  • Complexity: 208
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 7.7
  • Topological Polar Surface Area: 18.5?2

Experimental Properties

  • PSA: 18.46
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