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ScientificNameLabel
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1,6,10-Dodecatrien-3-ol-3,7,11-trimethyl
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| PHCD compound ID : |
3374
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| Chemical Names : |
1,6,10-Dodecatrien-3-ol-3,7,11-trimethyl , 1,6,10-Dodecatrien-3-ol,3,7,11-trimethyl
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| Molecular Formula : |
C15H26O1
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| Molecular Weight : |
222.198365
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More Details :
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| Names & Synonyms: |
3,7,11-trimethyldodeca-1,6,10-trien-3-ol , 3,7,11-trimethyl-3-dodeca-1,6,10-trienol
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| Smiles: |
C=C[C@@](CC/C=C(/CCC=C(C)C)\C)(O)C
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| InChi : |
InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11+/t15-/m0/s1
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| InChi Key : |
InChIKey=FQTLCLSUCSAZDY-GOFCXVBSSA-N
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| PubChem ID : |
8888
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| Rotatable bond count : |
7
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
1
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Ionization potential : |
9.011050
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| Hydrogen bond donor count : |
1
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Electric dipole moment : |
2.051
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| XLogP : |
4.29
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VDW volume : |
268.877079
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| Molecular weight : |
222.198365
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HOMO-LUMO gap : |
9.827000
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| Herb list : |
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