Metachromin A

Molecule SVG Image

Properties Simple | Detailed

Formula C22H30O4
IUPAC Name 3-[(e)-5-[(1r,3r)-1,3-dimethyl-2-methylene-cyclohexyl]-3-methyl-pent-2-enyl]-2-hydroxy-5-methoxy-1,4-benzoquinone
Molecular Mass 358.471 g·mol−1
Heat of Formation -582.6 ± 16.7 kJ·mol−1
Dipole Moment 2.94 ± 1.08 D
Volume 458.95 Å 3
Surface Area 380.29 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy -1.52 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(e)-5-[(1r,3r)-1,3-dimethyl-2-methylene-cyclohexyl]-3-methyl-pent-2-enyl]-2-hydroxy-5-methoxy-1,4-benzoquinone
  • 3-[(e)-5-[(1r,3r)-1,3-dimethyl-2-methylene-cyclohexyl]-3-methyl-pent-2-enyl]-2-hydroxy-5-methoxy-p-benzoquinone
  • 3-[(e)-5-[(1r,3r)-1,3-dimethyl-2-methylenecyclohexyl]-3-methylpent-2-enyl]-2-hydroxy-5-methoxy-1,4-benzoquinone
  • 3-[(e)-5-[(1r,3r)-1,3-dimethyl-2-methylidene-cyclohexyl]-3-methyl-pent-2-enyl]-2-hydroxy-5-methoxy-cyclohexa-2,5-diene-1,4-dione
  • 3-[(e)-5-[(1r,3r)-1,3-dimethyl-2-methylidenecyclohexyl]-3-methylpent-2-enyl]-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione
InChIKey IAMSURZACLERPY-XMRYUXBUSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O