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ScientificNameLabel
Pentanoic acid,3-methylbutyl ester
PHCD compound ID : 1855
Chemical Names :
Pentanoic acid,3-methylbutyl ester
Molecular Formula : C10H20O2
Molecular Weight : 172.14633
More Details :
Names & Synonyms: isopentyl pentanoate , pentanoic acid 3-methylbutyl ester , 3-methylbutyl pentanoate , valeric acid isoamyl ester
Smiles: CCCCC(=O)OCCC(C)C
InChi : InChI=1S/C10H20O2/c1-4-5-6-10(11)12-8-7-9(2)3/h9H,4-8H2,1-3H3
InChi Key : InChIKey=UBLAMKHIFZBBSS-UHFFFAOYSA-N
PubChem ID : 74901
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.665194
Hydrogen bond donor count : 0 Electric dipole moment : 1.861
XLogP : 3.49 VDW volume : 196.4603
Molecular weight : 172.14633 HOMO-LUMO gap : 11.900000
Herb list :
Refrences & Litretures:
  
219.      Journal:'Intl J Agri Crop Sci'      Year:'2013'      Volume:'5'      Page:'1946'      DOI:''      Title:'Chemical analysis and Identification of the components of two ecotypes of (Mentha Longifolia L. ( in Iran province'
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