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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(1S,2S,4S,5S)-5-ethyl-2-(1-hydroxy-1-methyl-ethyl)-4-isopropyl-5-methyl-cyclohexanol , (1S,2S,4S,5S)-5-ethyl-2-(2-hydroxypropan-2-yl)-5-methyl-4-propan-2-yl-1-cyclohexanol , (1S,2S,4S,5S)-5-ethyl-2-(2-hydroxypropan-2-yl)-5-methyl-4-propan-2-ylcyclohexan-1-ol , (1S,2S,4S,5S)-5-ethyl-5-methyl-2-(2-oxidanylpropan-2-yl)-4-propan-2-yl-cyclohexan-1-ol
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| Smiles: |
CC[C@@]1(C)C[C@H](O)[C@H](C[C@H]1C(C)C)C(O)(C)C
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| InChi : |
InChI=1S/C15H30O2/c1-7-15(6)9-13(16)12(14(4,5)17)8-11(15)10(2)3/h10-13,16-17H,7-9H2,1-6H3/t11-,12-,13-,15-/m0/s1
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| InChi Key : |
InChIKey=RTCSGAWDINSXEN-ABHRYQDASA-N
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| PubChem ID : |
91752725
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| Rotatable bond count : |
3
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
2
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Ionization potential : |
10.011163
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| Hydrogen bond donor count : |
2
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Electric dipole moment : |
3.468
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| XLogP : |
5.068
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VDW volume : |
273.220223
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| Molecular weight : |
242.22458
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HOMO-LUMO gap : |
12.561000
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| Herb list : |
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| Refrences & Litretures: |
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