(1S)-1-[(1R)-4,4-Dimethyl-2-Oxocyclopentyl]-5-(Hydroxymethyl)-3-Oxabicyclo[4.2.0]Octa-5,7-Dien-4-One

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Properties Simple | Detailed

Formula C15H18O4
IUPAC Name (1s)-1-[(1r)-4,4-dimethyl-2-oxo-cyclopentyl]-5-(hydroxymethyl)-3-oxabicyclo[4.2.0]octa-5,7-dien-4-one
Molecular Mass 262.301 g·mol−1
Heat of Formation -475.3 ± 16.7 kJ·mol−1
Dipole Moment 5.38 ± 1.08 D
Volume 314.34 Å 3
Surface Area 270.33 Å 2
HOMO Energy -10.18 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
Synonyms
  • (1s)-1-[(1r)-2-keto-4,4-dimethyl-cyclopentyl]-5-methylol-3-oxabicyclo[4.2.0]octa-5,7-dien-4-one
  • (1s)-1-[(1r)-4,4-dimethyl-2-oxo-cyclopentyl]-5-(hydroxymethyl)-3-oxabicyclo[4.2.0]octa-5,7-dien-4-one
InChIKey CKOLHOCKIPCVQL-XHDPSFHLSA-N
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Elements H C O