3-(Hydroxymethyl)-4-Methoxy-6-[(1S,2R,4As,8As)-2-Methyl-1,2,4A,5,6,7,8,8A-Octahydro-1-Naphthalenyl]-2H-Pyran-2-One

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Properties Simple | Detailed

Formula C18H25O4+
IUPAC Name 6-[(1s,2r,4as,8as)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-3-(hydroxymethyl)-4-methoxy-pyran-2-one
Molecular Mass 305.389 g·mol−1
Heat of Formation -648.1 ± 16.7 kJ·mol−1
Dipole Moment 3.48 ± 1.08 D
Volume 379.86 Å 3
Surface Area 316.08 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -0.59 ± eV
Point Group Symmetry C1
Synonyms
  • 6-[(1s,2r,4as,8as)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-3-(hydroxymethyl)-4-methoxy-2-pyranone
  • 6-[(1s,2r,4as,8as)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-3-(hydroxymethyl)-4-methoxy-pyran-2-one
  • 6-[(1s,2r,4as,8as)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-3-(hydroxymethyl)-4-methoxypyran-2-one
  • 6-[(1s,2r,4as,8as)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-4-methoxy-3-methylol-pyran-2-one
InChIKey YJHFAFJKTXEFDR-XREXNNHRSA-N
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