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ScientificNameLabel
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2,2-Dimethyl-3-(3,7,16,20-teramethyl-Heneicosa-3,7,11,15,19-pentaenyl)-oxirane
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| PHCD compound ID : |
1896
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| Chemical Names : |
2,2-Dimethyl-3-(3,7,16,20-teramethyl-Heneicosa-3,7,11,15,19-pentaenyl)-oxirane
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| Molecular Formula : |
C29H48O1
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| Molecular Weight : |
412.370516
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More Details :
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| Names & Synonyms: |
2,2-dimethyl-3-[(3E,7E,11E,15E)-3,7,16,20-tetramethylhenicosa-3,7,11,15,19-pentaenyl]oxirane , 2,2-dimethyl-3-[(3E,7E,11E,15E)-3,7,16,20-tetramethylheneicosa-3,7,11,15,19-pentaenyl]oxirane
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| Smiles: |
C/C(=C\CC/C=C/CC/C=C(/CCC=C(C)C)\C)/CC/C=C(/CC[C@@H]1OC1(C)C)\C
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| InChi : |
InChI=1S/C29H48O/c1-24(2)16-14-19-25(3)17-12-10-8-9-11-13-18-26(4)20-15-21-27(5)22-23-28-29(6,7)30-28/h8-9,16-18,21,28H,10-15,19-20,22-23H2,1-7H3/b9-8+,25-17+,26-18+,27-21+/t28-/m0/s1
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| InChi Key : |
InChIKey=GJLFBTFXOMJJGN-PTISNPARSA-N
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| PubChem ID : |
5367592
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| Rotatable bond count : |
15
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Rule of five : |
2
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| Hydrogen bond acceptor count : |
1
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Ionization potential : |
8.988794
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
3.042
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| XLogP : |
10.089
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VDW volume : |
493.391487
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| Molecular weight : |
412.370516
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HOMO-LUMO gap : |
10.172000
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| Herb list : |
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| Refrences & Litretures: |
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