(1R,4S,4As,8As)-1-(Hydroxymethyl)-2,5,5,8A-Tetramethyl-1,4,4A,5,6,7,8,8A-Octahydro-1,4-Naphthalenediol

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Properties Simple | Detailed

Formula C15H26O3
IUPAC Name (1s,4r,4as,8as)-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-1h-naphthalene-1,4-diol
Molecular Mass 254.365 g·mol−1
Heat of Formation -680.0 ± 16.7 kJ·mol−1
Dipole Moment 2.13 ± 1.08 D
Volume 324.32 Å 3
Surface Area 259.41 Å 2
HOMO Energy -9.85 ± 0.55 eV
LUMO Energy 0.54 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,4r,4as,8as)-3,4a,8,8-tetramethyl-4-methylol-5,6,7,8a-tetrahydro-1h-naphthalene-1,4-diol
  • (1s,4r,4as,8as)-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-1h-naphthalene-1,4-diol
InChIKey RWPFZPBMMIWKKY-NZBPQXDJSA-N
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