(-)-Callicarpenal

Molecule SVG Image

Properties Simple | Detailed

Formula C16H26O
IUPAC Name 2-[(1s,2r,4ar,8ar)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]acetaldehyde
Molecular Mass 234.377 g·mol−1
Heat of Formation -287.0 ± 16.7 kJ·mol−1
Dipole Moment 3.52 ± 1.08 D
Volume 322.28 Å 3
Surface Area 260.13 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy 3.86 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(1s,2r,4ar,8ar)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]acetaldehyde
  • 2-[(1s,2r,4ar,8ar)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethanal
InChIKey MPWIIQYWQOBNKS-UGUYLWEFSA-N
QR Code Generate QR Code
Links PubChem Wikipedia ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O