Skip Navigation Links
ScientificNameLabel
Trans-Marmelo oxide
PHCD compound ID : 1585
Chemical Names :
Trans-Marmelo oxide
Molecular Formula : C10H16O1
Molecular Weight : 152.120115
More Details :
Names & Synonyms: 4-methyl-2-[(1E)-3-methylbuta-1,3-dienyl]tetrahydrofuran , 4-methyl-2-[(1E)-3-methylbuta-1,3-dienyl]oxolane
Smiles: C[C@@H]1CO[C@@H](C1)/C=C/C(=C)C
InChi : InChI=1S/C10H16O/c1-8(2)4-5-10-6-9(3)7-11-10/h4-5,9-10H,1,6-7H2,2-3H3/b5-4+/t9-,10+/m0/s1
InChi Key : InChIKey=SULWOTZUSYCRIP-OCIBVNFRSA-N
PubChem ID : 14379833
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.347945
Hydrogen bond donor count : 0 Electric dipole moment : 2.249
XLogP : 2.627 VDW volume : 172.677156
Molecular weight : 152.120115 HOMO-LUMO gap : 9.765000
Herb list :
Refrences & Litretures:
  
174.      Journal:'Agric. Bioi. Chern'      Year:'1983'      Volume:'47'      Page:'2495'      DOI:'10.1080/00021369.1983.10865983'      Title:'Volatile Components of Quince Fruit (Cydonia oblonga Mill.)'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us