(9Cis)-15-(Chloromethyl)Retinal

Molecule SVG Image

Properties Simple | Detailed

Formula C21H29ClO
IUPAC Name (3e,5e,7z,9e)-1-chloro-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraen-2-one
Molecular Mass 332.907 g·mol−1
Heat of Formation -163.6 ± 16.7 kJ·mol−1
Dipole Moment 5.76 ± 1.08 D
Volume 454.14 Å 3
Surface Area 375.52 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
Synonyms
  • (3e,5e,7z,9e)-1-chloro-4,8-dimethyl-10-(2,6,6-trimethyl-1-cyclohexenyl)deca-3,5,7,9-tetraen-2-one
  • trans-retinoyl chloromethane
CAS Number(s)
  • 88981-45-7
InChIKey HBBZGIKEPNOCOG-RQIJYFHRSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O Cl