Cas no 143605-56-5 (1-Naphthalenecarboxylicacid, 1,2,4a,5,6,7,8,8a-octahydro-2-(2-hydroxybutyl)-1,3-dimethyl-, [1R-[1a,2b(R*),4aa,8aa]]- (9CI))

1-Naphthalenecarboxylicacid, 1,2,4a,5,6,7,8,8a-octahydro-2-(2-hydroxybutyl)-1,3-dimethyl-, [1R-[1a,2b(R*),4aa,8aa]]- (9CI) structure
143605-56-5 structure
Product Name:1-Naphthalenecarboxylicacid, 1,2,4a,5,6,7,8,8a-octahydro-2-(2-hydroxybutyl)-1,3-dimethyl-, [1R-[1a,2b(R*),4aa,8aa]]- (9CI)
CAS No:143605-56-5
MF:C17H28O3
MW:280.402425765991
CID:218169
PubChem ID:132569
Update Time:2025-04-19

1-Naphthalenecarboxylicacid, 1,2,4a,5,6,7,8,8a-octahydro-2-(2-hydroxybutyl)-1,3-dimethyl-, [1R-[1a,2b(R*),4aa,8aa]]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 1-Naphthalenecarboxylicacid, 1,2,4a,5,6,7,8,8a-octahydro-2-(2-hydroxybutyl)-1,3-dimethyl-, [1R-[1a,2b(R*),4aa,8aa]]- (9CI)
    • methyl (1S,2R,4aS,8aR)-2-[(2R)-2-hydroxybutyl]-3-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylate
    • 1,2,4a,5,6,7,8,8a-Octahydro-2-(2-hydroxybutyl)-1,3-dimethyl-1-naphthalenecarboxylic acid (1alpha,2beta(R*),4aalpha,8aalpha)-(-)-
    • 1-Naphthalenecarboxylic acid, 1,2,4a,5,6,7,8,8a-octahydro-2-(2-hydroxybutyl)-1,3-dimethyl-, (1alpha,2beta(R*),4aalpha,8aalpha)-(-)-
    • PI-201
    • PI 201
    • 143605-56-5
    • Methyl 2-(2-hydroxybutyl)-3-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylate
    • DTXSID00931966
    • Inchi： 1S/C17H28O3/c1-4-13(18)10-15-11(2)9-12-7-5-6-8-14(12)16(15)17(19)20-3/h9,12-16,18H,4-8,10H2,1-3H3/t12-,13-,14-,15+,16+/m1/s1
    • InChI Key： UMSPFLJZBBTPKA-SUJAAXHWSA-N
    • SMILES： O(C)C([C@@H]1[C@@H](C[C@@H](CC)O)C(C)=C[C@H]2CCCC[C@H]21)=O

Computed Properties

  • Exact Mass: 280.204
  • Monoisotopic Mass: 280.204
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 5
  • Complexity: 374
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.6
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • Density: 1.016
  • Boiling Point: 376.8°Cat760mmHg
  • Flash Point: 146.5°C
  • Refractive Index: 1.488

1-Naphthalenecarboxylicacid, 1,2,4a,5,6,7,8,8a-octahydro-2-(2-hydroxybutyl)-1,3-dimethyl-, [1R-[1a,2b(R*),4aa,8aa]]- (9CI) Related Literature

Related Categories

143605-56-5 (1-Naphthalenecarboxylicacid, 1,2,4a,5,6,7,8,8a-octahydro-2-(2-hydroxybutyl)-1,3-dimethyl-, [1R-[1a,2b(R*),4aa,8aa]]- (9CI)) Related Products

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