Chlorobactene

Molecule SVG Image

Properties Simple | Detailed

Formula C40H52
IUPAC Name 1,2-bis[2-(2-methylcyclopropen-1-yl)ethynyl]cyclopropene; 3,4,6-trimethylene-5-[(2-penta-1,3-diynylcyclopropylidene)methylene]cyclohexene
Molecular Mass 532.841 g·mol−1
Heat of Formation 283.0 ± 16.7 kJ·mol−1
Dipole Moment 1.64 ± 1.08 D
Volume 775.12 Å 3
Surface Area 690.93 Å 2
HOMO Energy -7.85 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(1e,3e,5e,7e,9e,11e,13e,15e,17e,19e)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,4-trimethyl-benzene
  • 2-[(1e,3e,5e,7e,9e,11e,13e,15e,17e,19e)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,4-trimethylbenzene
  • lmpr01070163
CAS Number(s)
  • 2932-09-4
InChIKey VJASLAGEYVTOGS-IQAIWTHGSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C