Cas no 95008-93-8 (Cyclopentanepentanoicacid, phenylmethyl ester)

Cyclopentanepentanoicacid, phenylmethyl ester structure
95008-93-8 structure
Product Name:Cyclopentanepentanoicacid, phenylmethyl ester
CAS No:95008-93-8
MF:C17H24O2
MW:260.371265411377
CID:810719
PubChem ID:21149864
Update Time:2025-04-19

Cyclopentanepentanoicacid, phenylmethyl ester Chemical and Physical Properties

Names and Identifiers

    • Cyclopentanepentanoicacid, phenylmethyl ester
    • benzyl 5-cyclopentylpentanoate
    • benzyl cyclopentanevalerate
    • EINECS 305-720-1
    • NS00040432
    • DTXSID90241728
    • 95008-93-8
    • Inchi: 1S/C17H24O2/c18-17(19-14-16-11-2-1-3-12-16)13-7-6-10-15-8-4-5-9-15/h1-3,11-12,15H,4-10,13-14H2
    • InChI Key: ONKIFINYCDJCBF-UHFFFAOYSA-N
    • SMILES: O(CC1C=CC=CC=1)C(CCCCC1CCCC1)=O

Computed Properties

  • Exact Mass: 260.177630004g/mol
  • Monoisotopic Mass: 260.177630004g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 8
  • Complexity: 250
  • 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
  • XLogP3: 5.2
  • Topological Polar Surface Area: 26.3?2
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