(2E)-3-Methyl-5-[(1S,2R,4Ar,8Ar)-1,2,4A,5-Tetramethyl-1,2,3,4,4A,7,8,8A-Octahydro-1-Naphthalenyl]-2-Pentenoic Acid

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Properties Simple | Detailed

Formula C20H32O2
IUPAC Name (e)-5-[(1s,2r,4ar,8ar)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methyl-pent-2-enoic acid
Molecular Mass 304.467 g·mol−1
Heat of Formation -548.1 ± 16.7 kJ·mol−1
Dipole Moment 3.05 ± 1.08 D
Volume 412.86 Å 3
Surface Area 332.61 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -0.06 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-5-[(1s,2r,4ar,8ar)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methyl-pent-2-enoic acid
  • (e)-5-[(1s,2r,4ar,8ar)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-enoic acid
  • 2-pentenoic acid, 3-methyl-5-(1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)-, (1s-(1alpha(e),2beta,4abeta,8aalpha))-
  • kolavenic acid
CAS Number(s)
  • 25906-81-4
InChIKey NLVMTSRTOGOFQD-MWRQYBNOSA-N
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