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2-Cyclopenten-1-one,3-methyl-2-(trimethyl silyl)
ScientificNameLabel
2-Cyclopenten-1-one,3-methyl-2-(trimethyl silyl)
PHCD compound ID :
1847
Chemical Names :
2-Cyclopenten-1-one,3-methyl-2-(trimethyl silyl)
Molecular Formula :
C9H16O1Si1
Molecular Weight :
168.097042
More Details :
Names & Synonyms:
Smiles:
CC1=C(C(=O)CC1)[Si](C)(C)C
InChi :
InChI=1S/C9H16OSi/c1-7-5-6-8(10)9(7)11(2,3)4/h5-6H2,1-4H3
InChi Key :
InChIKey=NIOPFQQBAOLRLE-UHFFFAOYSA-N
PubChem ID :
Rotatable bond count :
1
Rule of five :
0
Hydrogen bond acceptor count :
1
Ionization potential :
9.697314
Hydrogen bond donor count :
0
Electric dipole moment :
4.170
XLogP :
1.586
VDW volume :
190.890015
Molecular weight :
168.097042
HOMO-LUMO gap :
9.803000
Herb list :
Horsemint, Brookmint - Mentha longifolia - پونه، پودنه
Refrences & Litretures:
216. Journal:'J. BioSci. Biotechnol' Year:'2015' Volume:'4' Page:'117' DOI:'' Title:'Identification of the essential oils composition from four ecotypes of Mentha longifolia (L.) Huds. growing wild in Isfahan province, Iran'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
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