(2E)-2-{2-[(1R,2S,4As,8As)-5,5,8A-Trimethyloctahydro-1H-Spiro[Naphthalene-2,2'-Oxiran]-1-Yl]Ethylidene}Succinaldehyde

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Properties Simple | Detailed

Formula C20H30O3
IUPAC Name (2e)-2-[2-[(1r,2s,4as,8as)-5,5,8a-trimethylspiro[decalin-2,2'-oxirane]-1-yl]ethylidene]butanedial
Molecular Mass 318.450 g·mol−1
Heat of Formation -463.2 ± 16.7 kJ·mol−1
Dipole Moment 3.21 ± 1.08 D
Volume 416.86 Å 3
Surface Area 330.29 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy -0.30 ± eV
Point Group Symmetry C1
Synonyms
  • (2e)-2-[2-[(1r,2s,4as,8as)-5,5,8a-trimethyl-1-spiro[decalin-2,2'-oxirane]yl]ethylidene]butanedial
  • (2e)-2-[2-[(1r,2s,4as,8as)-5,5,8a-trimethylspiro[3,4,4a,6,7,8-hexahydro-1h-naphthalene-2,2'-oxirane]-1-yl]ethylidene]butanedial
  • (2e)-2-[2-[(1r,2s,4as,8as)-5,5,8a-trimethylspiro[decalin-2,2'-oxirane]-1-yl]ethylidene]butanedial
  • (2e)-2-[2-[(1r,2s,4as,8as)-5,5,8a-trimethylspiro[decalin-2,2'-oxirane]-1-yl]ethylidene]succinaldehyde
InChIKey ZAWCPGMKVKTLKI-NOFOYWHNSA-N
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