Methyl (4R)-4-[(2S)-2-Hydroxy-6-Methyl-5-Hepten-2-Yl]-1-Cyclohexene-1-Carboxylate

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Properties Simple | Detailed

Formula C16H26O3
IUPAC Name methyl (4r)-4-[(1s)-1-hydroxy-1,5-dimethyl-hex-4-enyl]cyclohexene-1-carboxylate
Molecular Mass 266.376 g·mol−1
Heat of Formation -649.6 ± 16.7 kJ·mol−1
Dipole Moment 2.25 ± 1.08 D
Volume 358.52 Å 3
Surface Area 317.2 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy 3.02 ± eV
Point Group Symmetry C1
Synonyms
  • (4r)-4-[(1s)-1-hydroxy-1,5-dimethyl-hex-4-enyl]cyclohexene-1-carboxylic acid methyl ester
  • (4r)-4-[(1s)-1-hydroxy-1,5-dimethylhex-4-enyl]-1-cyclohexenecarboxylic acid methyl ester
  • bisaborosaol a
  • methyl (4r)-4-[(1s)-1-hydroxy-1,5-dimethyl-hex-4-enyl]cyclohexene-1-carboxylate
  • methyl (4r)-4-[(2s)-2-hydroxy-6-methyl-hept-5-en-2-yl]cyclohexene-1-carboxylate
  • methyl (4r)-4-[(2s)-2-hydroxy-6-methylhept-5-en-2-yl]cyclohexene-1-carboxylate
CAS Number(s)
  • 135970-39-7
InChIKey ZOJSSXJDOHFOTI-HOCLYGCPSA-N
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