(6Ar,10Ar)-1-Hydroxy-6,6-Dimethyl-3-Pentyl-6A,7,8,10A-Tetrahydro-6H-Benzo[C]Chromene-9-Carboxylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C21H28O4
IUPAC Name (6as,10ar)-1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid
Molecular Mass 344.445 g·mol−1
Heat of Formation -810.1 ± 16.7 kJ·mol−1
Dipole Moment 2.06 ± 1.08 D
Volume 430.96 Å 3
Surface Area 370.65 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 0.04 ± eV
Point Group Symmetry C1
Synonyms
  • (6as,10ar)-1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid
  • (6as,10ar)-3-amyl-1-hydroxy-6,6-dimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid
  • pdsp1_000219
InChIKey YOVRGSHRZRJTLZ-CVEARBPZSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O