Cas no 120-19-4 (Cyclopentylmethyl decanoate)

Cyclopentylmethyl decanoate structure
Cyclopentylmethyl decanoate structure
Product Name:Cyclopentylmethyl decanoate
CAS No:120-19-4
MF:C16H30O2
MW:254.408205509186
CID:35944
PubChem ID:129083
Update Time:2025-04-18

Cyclopentylmethyl decanoate Chemical and Physical Properties

Names and Identifiers

    • Cyclopentylmethyl decanoate
    • Decanoic acid cyclopentylmethyl ester
    • (1R,4aR,10aS)-5-hydroxy-1-(hydroxymethyl)-8-methoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one
    • 2(1H)-Phenanthrenone,3,4,4a,9,10,10a-hexahydro-5-hydroxy-1-(hydroxymethyl)-8-methoxy-1,4a-dimethyl-7-(1-methylethyl)-,(1R-(1alpha,4aalpha,10abeta))
    • A)-11,18-dihydroxy-14-methoxyabieta-8(14),9(11),12-trien-3-one
    • A,10
    • Triptonoterpenol
    • Decanoic acid, cyclopentylmethylester
    • Dacpme
    • DTXSID90152724
    • 120-19-4
    • Decanoic acid cyclopentyl methyl ester
    • Decanoic acid, cyclopentylmethyl ester
    • Decanoic acid,cyclopentylmethylester
    • 120194-91-4
    • AKOS030593706
    • DTXCID2075215
    • Inchi: 1S/C16H30O2/c1-2-3-4-5-6-7-8-13-16(17)18-14-15-11-9-10-12-15/h15H,2-14H2,1H3
    • InChI Key: ACRFCWGJALRWRL-UHFFFAOYSA-N
    • SMILES: O(C(CCCCCCCCC)=O)CC1CCCC1

Computed Properties

  • Exact Mass: 254.22500
  • Monoisotopic Mass: 254.225
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 3
  • Complexity: 518
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 18
  • XLogP3: 4.2
  • Topological Polar Surface Area: 26.3A^2

Experimental Properties

  • Density: 0.914 g/cm3
  • Boiling Point: 310.6oC at 760 mmHg
  • Flash Point: 310.6 °C at 760 mmHg
  • Refractive Index: 1.457
  • PSA: 26.30000
  • LogP: 4.86050
  • FEMA: 3109

Cyclopentylmethyl decanoate Related Literature

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