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2H-1-Benzopyran-6-ol,3,4-dihydro-2,5,7,8-tetramethyl-2-(4-methyl-3-penten-1-yl)-, 6-acetate | 16146-60-4

Product name:2H-1-Benzopyran-6-ol,3,4-dihydro-2,5,7,8-tetramethyl-2-(4-methyl-3-penten-1-yl)-, 6-acetate

CAS No:16146-60-4
MF:C21H30O3
MW:330.4611
CID:167173
PubChem ID:204317
Names and Identifiers
  • 2H-1-Benzopyran-6-ol,3,4-dihydro-2,5,7,8-tetramethyl-2-(4-methyl-3-penten-1-yl)-, 6-acetate
  • [2,5,7,8-tetramethyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromen-6-yl] acetate
  • 2,5,7,8-Tetramethyl-2-(4-methylpent-3-en-1-yl)-3,4-dihydro-2H-chromen-6-yl acetate
  • 2H-1-benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4-methyl-3-penten-1-yl)-, acetate
  • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4-methyl-3-pentenyl)-, acetate
  • 3,4-Dihydro-2,5,7,8-tetramethyl-2-(4-methyl-3-pentenyl)-2H-1-benzopyran-6-ol acetate
  • 16146-60-4
  • BRN 1390597
  • DTXSID80936530
  • 6-acetoxy-2,5,7,8-tetramethyl-2-(4-methylpent-3-en-1-yl)chroman
  • SCHEMBL3095426
  • 2,5,7,8-Tetramethyl-2-(4-methylpent-3-en-1-yl)-3,4-dihydro-2H-1-benzopyran-6-yl acetate
  • SCHEMBL13566292
  • InChIKey:QVAMYDNJVRDGBO-UHFFFAOYSA-N
  • Inchi:InChI=1S/C21H30O3/c1-13(2)9-8-11-21(7)12-10-18-16(5)19(23-17(6)22)14(3)15(4)20(18)24-21/h9H,8,10-12H2,1-7H3
  • SMILES:C/C(=C/CCC1(CCC2=C(C(=C(C(C)=C2O1)C)OC(=O)C)C)C)/C
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 330.2196
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Rotatable Bond Count: 5
  • Monoisotopic Mass: 330.219
  • Heavy Atom Count: 24
  • Complexity: 480
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • XLogP3: 5.7
  • Topological Polar Surface Area: 35.5Ų

Experimental Properties

  • PSA: 35.53
  • Refractive Index: 1.508
  • Boiling Point: 424.4°Cat760mmHg
  • Flash Point: 180.7°C
  • Density: 1.003
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