(1S,6S)-3-Isopropylidene-6-Methyl-7-Oxabicyclo[4.1.0]Heptan-2-One

Molecule SVG Image

Properties Simple | Detailed

Formula C10H14O2
IUPAC Name (1s,6s)-3-isopropylidene-6-methyl-7-oxabicyclo[4.1.0]heptan-2-one
Molecular Mass 166.217 g·mol−1
Heat of Formation -257.0 ± 16.7 kJ·mol−1
Dipole Moment 3.98 ± 1.08 D
Volume 213.04 Å 3
Surface Area 201.08 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy -0.24 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,6s)-1-methyl-4-propan-2-ylidene-7-oxabicyclo[4.1.0]heptan-5-one
  • (1s,6s)-4-isopropylidene-1-methyl-7-oxabicyclo[4.1.0]heptan-5-one
  • rotundifolone
CAS Number(s)
  • 3564-96-3
InChIKey AKASWINDKIEEBO-ZJUUUORDSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O