Ambroxdiol

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Properties Simple | Detailed

Formula C16H30O2
IUPAC Name (1r,2r,4as,8as)-1-(2-hydroxyethyl)-2,5,5,8a-tetramethyl-decalin-2-ol
Molecular Mass 254.408 g·mol−1
Heat of Formation -625.7 ± 16.7 kJ·mol−1
Dipole Moment 3.25 ± 1.08 D
Volume 344.06 Å 3
Surface Area 275.33 Å 2
HOMO Energy -9.99 ± 0.55 eV
LUMO Energy 2.81 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r,4as,8as)-1-(2-hydroxyethyl)-2,5,5,8a-tetramethyl-2-decalinol
  • (1r,2r,4as,8as)-1-(2-hydroxyethyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1h-naphthalen-2-ol
  • (1r,2r,4as,8as)-1-(2-hydroxyethyl)-2,5,5,8a-tetramethyl-decalin-2-ol
InChIKey AIALTZSQORJYNJ-LQKXBSAESA-N
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