Cas no 10522-33-5 (Pentanoic acid,(2Z)-3,7-dimethyl-2,6-octadien-1-yl ester)

Pentanoic acid,(2Z)-3,7-dimethyl-2,6-octadien-1-yl ester structure
10522-33-5 structure
Product Name:Pentanoic acid,(2Z)-3,7-dimethyl-2,6-octadien-1-yl ester
CAS No:10522-33-5
MF:C15H26O2
MW:238.365745067596
CID:181912
PubChem ID:6436375
Update Time:2025-04-19

Pentanoic acid,(2Z)-3,7-dimethyl-2,6-octadien-1-yl ester Chemical and Physical Properties

Names and Identifiers

    • Pentanoic acid,(2Z)-3,7-dimethyl-2,6-octadien-1-yl ester
    • (Z)-3,7-dimethylocta-2,6-dienyl valerate
    • 3,7-dimethylocta-2,6-dienyl pentanoate
    • AGN-PC-00GRKP
    • CTK2G2325
    • neryl trimethylsilyl ether
    • neryl valerate
    • Silane, [(3,7-dimethyl-2,6-octadienyl)oxy]trimethyl-
    • Silane, [[(2Z)-3,7-dimethyl-2,6-octadienyl]oxy]trimethyl-
    • Einecs 234-070-0
    • (Z)-3,7-Dimethylocta-2,6-dienyl pentanoate
    • Pentanoic acid (Z)-3,7-dimethyl-2,6-octadienyl ester
    • Pentanoic acid, (2Z)-3,7-dimethyl-2,6-octadienyl ester
    • Pentanoic acid, (2Z)-3,7-dimethyl-2,6-octadien-1-yl ester
    • (2Z)-3,7-DIMETHYLOCTA-2,6-DIEN-1-YL PENTANOATE
    • NS00087329
    • CVSWGLSBJFKWMW-KAMYIIQDSA-N
    • LMFA07010899
    • 3,7-Dimethyl-2,6-octadienyl ester(E)-Pentanoic acid
    • [(2Z)-3,7-dimethylocta-2,6-dienyl] pentanoate
    • neryl pentanoate
    • DTXSID80884486
    • 10522-33-5
    • Inchi: 1S/C15H26O2/c1-5-6-10-15(16)17-12-11-14(4)9-7-8-13(2)3/h8,11H,5-7,9-10,12H2,1-4H3/b14-11-
    • InChI Key: CVSWGLSBJFKWMW-KAMYIIQDSA-N
    • SMILES: O(C(CCCC)=O)C/C=C(/C)\CC/C=C(\C)/C

Computed Properties

  • Exact Mass: 238.19338
  • Monoisotopic Mass: 238.193280068g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 9
  • Complexity: 271
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.8
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3

Pentanoic acid,(2Z)-3,7-dimethyl-2,6-octadien-1-yl ester Related Literature

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