6,6-Dimethyl-3-Heptyne

Molecule SVG Image

Properties Simple | Detailed

Formula C9H16
IUPAC Name 6,6-dimethylhept-3-yne
Molecular Mass 124.223 g·mol−1
Heat of Formation 38.9 ± 16.7 kJ·mol−1
Dipole Moment 0.13 ± 1.08 D
Volume 197.67 Å 3
Surface Area 196.3 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy 1.55 ± eV
Point Group Symmetry Cs
Synonyms
  • 3-bromo-2,7-dimethyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
  • 3-heptyne, 6,6-dimethyl
  • pyrazolo[1,5-a]pyrimidine, 3-bromo-5-trifluoromethyl-2,7-dimethyl-
InChIKey WZLLMKMGPOKUOY-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C