Chlorovulone I

Molecule SVG Image

Properties Simple | Detailed

Formula C21H29ClO4
IUPAC Name methyl (z,7e)-7-[(2r)-4-chloro-2-hydroxy-2-[(z)-oct-2-enyl]-5-oxo-cyclopent-3-en-1-ylidene]hept-5-enoate
Molecular Mass 380.906 g·mol−1
Heat of Formation -668.9 ± 16.7 kJ·mol−1
Dipole Moment 2.80 ± 1.08 D
Volume 489.82 Å 3
Surface Area 381.16 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
Synonyms
  • (z,7e)-7-[(2r)-4-chloro-2-hydroxy-2-[(z)-oct-2-enyl]-5-oxo-1-cyclopent-3-enylidene]hept-5-enoic acid methyl ester
  • (z,7e)-7-[(2r)-4-chloro-2-hydroxy-5-keto-2-[(z)-oct-2-enyl]-1-cyclopent-3-enylidene]hept-5-enoic acid methyl ester
  • lmfa03120008
  • methyl 9-oxo-10-chloro-12r-hydroxy-5z,7e,10z,13z-prostatetraenoate-cyclo[8,12]
  • prosta-5,7,10,14-tetraen-1-oic acid, 10-chloro-12-hydroxy-9-oxo-, methyl ester, (5z,7e,14z)-
CAS Number(s)
  • 100295-81-6
InChIKey CTIZPKYMYVPNGA-DJKWDOPVSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O Cl