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Octadecanoic acid,10-methyl
ScientificNameLabel
Octadecanoic acid,10-methyl
PHCD compound ID :
5133
Chemical Names :
Octadecanoic acid,10-methyl
Molecular Formula :
C19H38O2
Molecular Weight :
298.28718
More Details :
Names & Synonyms:
10-methyloctadecanoic acid , 10-methylstearic acid
Smiles:
CCCCCCCC[C@@H](CCCCCCCCC(=O)O)C
InChi :
InChI=1S/C19H38O2/c1-3-4-5-6-9-12-15-18(2)16-13-10-7-8-11-14-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)/t18-/m0/s1
InChi Key :
InChIKey=BEOUGZFCUMNGOU-SFHVURJKSA-N
PubChem ID :
65037
Rotatable bond count :
16
Rule of five :
2
Hydrogen bond acceptor count :
2
Ionization potential :
10.707365
Hydrogen bond donor count :
1
Electric dipole moment :
4.677
XLogP :
9.216
VDW volume :
352.124161
Molecular weight :
298.28718
HOMO-LUMO gap :
11.685000
Herb list :
Tea - Camellia sinensis - چای
Refrences & Litretures:
813. Journal:'J Biomedical Sci' Year:'2018' Volume:'7' Page:'1' DOI:'10.4172/2254-609X.100089' Title:'Antioxidative Activity Of Essential Oil Of Flowers Of Tea (Camellia Sinensis L.) Plants Extracted By Supercritical Carbon Dioxide'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
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