1A,2B,5A-2,6,6-Trimethylbicyclo(3.1.1)Heptane

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Properties Simple | Detailed

Formula C10H18
IUPAC Name (1s,2s,5s)-2,6,6-trimethylnorpinane
Molecular Mass 138.250 g·mol−1
Heat of Formation -58.0 ± 16.7 kJ·mol−1
Dipole Moment 0.29 ± 1.08 D
Volume 203.1 Å 3
Surface Area 185.85 Å 2
HOMO Energy -10.03 ± 0.55 eV
LUMO Energy 6.63 ± eV
Point Group Symmetry C1
Synonyms
  • (1s)-(−)-trans-pinane
  • (1s,2s)-2,6,6-trimethylbicyclo[3.1.1]heptane
  • (1s,2s,5s)-2,6,6-trimethylnorpinane
  • (1s,2s,5s)-2,7,7-trimethylbicyclo[3.1.1]heptane
  • 2,6,6-trimethyl-bicyclo[3.1.1]heptane, trans
InChIKey XOKSLPVRUOBDEW-CIUDSAMLSA-N
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Elements H C