5-(Diethylamino)-2-Methyl-3-Pentyn-2-Yl (2S)-Cyclohexyl(Hydroxy)Phenylacetate

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Properties Simple | Detailed

Formula C24H35NO3
IUPAC Name [4-(diethylamino)-1,1-dimethyl-but-2-ynyl] (2s)-2-cyclohexyl-2-hydroxy-2-phenyl-acetate
Molecular Mass 385.540 g·mol−1
Heat of Formation -414.2 ± 16.7 kJ·mol−1
Dipole Moment 3.35 ± 1.08 D
Volume 524.62 Å 3
Surface Area 385.04 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy 0.28 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-cyclohexyl-2-hydroxy-2-phenyl-acetic acid (4-diethylamino-1,1-dimethyl-but-2-ynyl) ester
  • (2s)-2-cyclohexyl-2-hydroxy-2-phenylacetic acid (4-diethylamino-1,1-dimethylbut-2-ynyl) ester
  • (4-diethylamino-1,1-dimethyl-but-2-ynyl) (2s)-2-cyclohexyl-2-hydroxy-2-phenyl-acetate
  • (5-diethylamino-2-methyl-pent-3-yn-2-yl) (2s)-2-cyclohexyl-2-hydroxy-2-phenyl-ethanoate
  • (5-diethylamino-2-methylpent-3-yn-2-yl) (2s)-2-cyclohexyl-2-hydroxy-2-phenylacetate
InChIKey DMEPDNFRHUGNPT-XMMPIXPASA-N
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