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Compound: 5546
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1,6,octaden-1-ol
ScientificNameLabel
1,6,octaden-1-ol
PHCD compound ID :
1872
Chemical Names :
1,6,octaden-1-ol
Molecular Formula :
C8H14O1
Molecular Weight :
126.104465
More Details :
Names & Synonyms:
Smiles:
C/C=C/CCC/C=C/O
InChi :
InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h2-3,7-9H,4-6H2,1H3/b3-2+,8-7+
InChi Key :
InChIKey=JIODGGJJYZJMHR-BSMXIPCLSA-N
PubChem ID :
Rotatable bond count :
4
Rule of five :
0
Hydrogen bond acceptor count :
1
Ionization potential :
9.144634
Hydrogen bond donor count :
1
Electric dipole moment :
1.898
XLogP :
3.145
VDW volume :
150.441645
Molecular weight :
126.104465
HOMO-LUMO gap :
10.376000
Herb list :
Horsemint, Brookmint - Mentha longifolia - پونه، پودنه
Refrences & Litretures:
220. Journal:'Journal of Medicinal Plants Research' Year:'2012' Volume:'6' Page:'4522' DOI:'10.5897/JMPR11.933' Title:'Essential oil content and composition of Mentha longifolia (L.) Hudson grown wild in Iran'
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