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1-4 Methano-1H-indene, octahydro-1,7a-dimethyl-4-(1-methylethenyl
ScientificNameLabel
1-4 Methano-1H-indene, octahydro-1,7a-dimethyl-4-(1-methylethenyl
PHCD compound ID :
2461
Chemical Names :
1-4 Methano-1H-indene, octahydro-1,7a-dimethyl-4-(1-methylethenyl
Molecular Formula :
C15H24
Molecular Weight :
204.187801
More Details :
Names & Synonyms:
Smiles:
CC(=C)[C@@]12CCC[C@@]3([C@H]2CC[C@@]3(C1)C)C
InChi :
InChI=1S/C15H24/c1-11(2)15-8-5-7-14(4)12(15)6-9-13(14,3)10-15/h12H,1,5-10H2,2-4H3/t12-,13-,14-,15-/m1/s1
InChi Key :
InChIKey=MTBNHGFRLZSOTC-KBUPBQIOSA-N
PubChem ID :
565738
Rotatable bond count :
1
Rule of five :
1
Hydrogen bond acceptor count :
0
Ionization potential :
9.507514
Hydrogen bond donor count :
0
Electric dipole moment :
0.954
XLogP :
6.651
VDW volume :
228.290393
Molecular weight :
204.187801
HOMO-LUMO gap :
10.853000
Herb list :
Betony - Stachys lavandulifolia Vahl - چای کوهی، سنبله ای زیبا
Refrences & Litretures:
282. Journal:'Intl J Farm & Alli Sci' Year:'2015' Volume:'4' Page:'197' DOI:'' Title:'Study of chemical composition and antibacterial effects of essential oils of Stachys lavandulifolia Vahl., Salvia verticillata L., and Tanacetum polycephalum Schultz-Bip. on some microbial lineages'
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