Skip Navigation Links
ScientificNameLabel
1,8-Dimethyl-4-(1-methylethyl)-spiro[4.5]dec-8-en-7-one
PHCD compound ID : 4521
Chemical Names :
1,8-Dimethyl-4-(1-methylethyl)-spiro[4.5]dec-8-en-7-one
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: 4-isopropyl-1,8-dimethyl-spiro[4.5]dec-7-en-9-one , 1,8-dimethyl-4-propan-2-yl-9-spiro[4.5]dec-7-enone , 1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-one , 1,8-dimethyl-4-propan-2-yl-spiro[4.5]dec-7-en-9-one
Smiles: O=C1C[C@]2(CC=C1C)[C@H](C)CC[C@H]2C(C)C
InChi : InChI=1S/C15H24O/c1-10(2)13-6-5-12(4)15(13)8-7-11(3)14(16)9-15/h7,10,12-13H,5-6,8-9H2,1-4H3/t12-,13+,15-/m1/s1
InChi Key : InChIKey=HBTHUBMUAHAWBC-VNHYZAJKSA-N
PubChem ID : 573024
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.762474
Hydrogen bond donor count : 0 Electric dipole moment : 3.558
XLogP : 4.992 VDW volume : 246.80062
Molecular weight : 220.182715 HOMO-LUMO gap : 9.840000
Herb list :
Refrences & Litretures:
  
672.      Journal:'Molecules'      Year:'2012'      Volume:'17'      Page:'11173'      DOI:'10.3390/molecules170911173'      Title:'Chemical Composition of Hexane Extract of Citrus aurantifolia and Anti-Mycobacterium tuberculosis Activity of Some of Its Constituents'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us