Skip Navigation Links
ScientificNameLabel
Neoisolongifolane,hydroxy-
PHCD compound ID : 1258
Chemical Names :
Neoisolongifolane,hydroxy-
Molecular Formula : C15H26O1
Molecular Weight : 222.198365
More Details :
Names & Synonyms: 2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalene-9-ol
Smiles: CC1(C)[C@H]2CC[C@@]3([C@]1(O)CCCC3(C)C)C2
InChi : InChI=1S/C15H26O/c1-12(2)7-5-8-15(16)13(3,4)11-6-9-14(12,15)10-11/h11,16H,5-10H2,1-4H3/t11-,14+,15-/m0/s1
InChi Key : InChIKey=CCMWYZQSEJEAEY-GLQYFDAESA-N
PubChem ID : 534931
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.741577
Hydrogen bond donor count : 1 Electric dipole moment : 1.696
XLogP : 4.43 VDW volume : 239.717079
Molecular weight : 222.198365 HOMO-LUMO gap : 12.989000
Herb list :
Refrences & Litretures:
  
130.      Journal:'J. Sci. Res'      Year:'2009'      Volume:'1'      Page:'387'      DOI:'10.3329/jsr.v1i2.1760'      Title:'Constituents of Peel and Leaf Essential Oils of Citrus Medica L'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us