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ScientificNameLabel
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Decahydro-4,4,8,9,10-pentamethylnaphthalene
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| PHCD compound ID : |
230
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| Chemical Names : |
Decahydro-4,4,8,9,10-pentamethylnaphthalene , Decahydro-1,1,4a,5,6-pentamethylnaphthalene
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| Molecular Formula : |
C15H28
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| Molecular Weight : |
208.219101
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More Details :
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| Names & Synonyms: |
1,1,4a,5,6-pentamethyldecalin , 1,2,5,5,8a-pentamethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene
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| Smiles: |
C[C@H]1CC[C@H]2[C@@]([C@H]1C)(C)CCCC2(C)C
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| InChi : |
InChI=1S/C15H28/c1-11-7-8-13-14(3,4)9-6-10-15(13,5)12(11)2/h11-13H,6-10H2,1-5H3/t11-,12-,13+,15-/m0/s1
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| InChi Key : |
InChIKey=CVRSZZJUWRLRDE-XPCVCDNBSA-N
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| PubChem ID : |
606283
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| Rotatable bond count : |
0
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
0
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Ionization potential : |
9.968970
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
0.115
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| XLogP : |
7.964
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VDW volume : |
243.283311
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| Molecular weight : |
208.219101
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HOMO-LUMO gap : |
13.768000
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