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2,7-octadiene-1,6-diol,2,6-dimethyl-,(Z)
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| PHCD compound ID : |
118
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| Chemical Names : |
2,7-octadiene-1,6-diol,2,6-dimethyl-,(Z)
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| Molecular Formula : |
C10H18O2
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| Molecular Weight : |
170.13068
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More Details :
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| Names & Synonyms: |
(2Z)-2,6-dimethylocta-2,7-diene-1,6-diol
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| Smiles: |
OC/C(=C\CC[C@@](C=C)(O)C)/C
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| InChi : |
InChI=1S/C10H18O2/c1-4-10(3,12)7-5-6-9(2)8-11/h4,6,11-12H,1,5,7-8H2,2-3H3/b9-6-/t10-/m1/s1
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| InChi Key : |
InChIKey=NSMIMJYEKVSYMT-ABRRARGCSA-N
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| PubChem ID : |
5352452
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| Rotatable bond count : |
5
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
2
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Ionization potential : |
9.612281
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| Hydrogen bond donor count : |
2
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Electric dipole moment : |
2.430
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| XLogP : |
0.587
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VDW volume : |
193.823841
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| Molecular weight : |
170.13068
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HOMO-LUMO gap : |
10.486000
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