Malyngolide

Molecule SVG Image

Properties Simple | Detailed

Formula C16H30O3
IUPAC Name (3r,6s)-6-(hydroxymethyl)-3-methyl-6-nonyl-tetrahydropyran-2-one
Molecular Mass 270.408 g·mol−1
Heat of Formation -814.3 ± 16.7 kJ·mol−1
Dipole Moment 3.92 ± 1.08 D
Volume 375.2 Å 3
Surface Area 343.05 Å 2
HOMO Energy -10.26 ± 0.55 eV
LUMO Energy 1.09 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,6s)-3-methyl-6-methylol-6-nonyl-tetrahydropyran-2-one
  • (3r,6s)-6-(hydroxymethyl)-3-methyl-6-nonyl-2-tetrahydropyranone
  • (3r,6s)-6-(hydroxymethyl)-3-methyl-6-nonyl-oxan-2-one
  • (3r,6s)-6-(hydroxymethyl)-3-methyl-6-nonyl-tetrahydropyran-2-one
  • (3r,6s)-6-(hydroxymethyl)-3-methyl-6-nonyloxan-2-one
  • 2h-pyran-2-one, tetrahydro-6-(hydroxymethyl)-3-methyl-6-nonyl-, (3r-trans)-
CAS Number(s)
  • 71582-80-4
InChIKey OEXPVULGTKWKEH-ZBFHGGJFSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O