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ScientificNameLabel
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1-hydroxy-1-methyl-7-methylethyl-1,2,3,3a,4,5,6,7,octahydro azulene
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| PHCD compound ID : |
1605
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| Chemical Names : |
1-hydroxy-1-methyl-7-methylethyl-1,2,3,3a,4,5,6,7,octahydro azulene
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| Molecular Formula : |
C14H24O1
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| Molecular Weight : |
208.182715
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More Details :
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| Names & Synonyms: |
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| Smiles: |
CC([C@@H]1CCC[C@H]2C(=C1)[C@@](C)(O)CC2)C
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| InChi : |
InChI=1S/C14H24O/c1-10(2)12-6-4-5-11-7-8-14(3,15)13(11)9-12/h9-12,15H,4-8H2,1-3H3/t11-,12-,14+/m1/s1
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| InChi Key : |
InChIKey=QREVRHDEWYSPCN-BZPMIXESSA-N
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| PubChem ID : |
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| Rotatable bond count : |
1
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
1
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Ionization potential : |
9.424585
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| Hydrogen bond donor count : |
1
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Electric dipole moment : |
1.886
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| XLogP : |
3.818
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VDW volume : |
232.141094
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| Molecular weight : |
208.182715
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HOMO-LUMO gap : |
10.499000
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| Herb list : |
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| Refrences & Litretures: |
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