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ScientificNameLabel
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1,2,3,4,4a,5,6,8a-Octahydro-7-methyl-4-methylene-1-(1-methylethyl)-napthalene
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| PHCD compound ID : |
142
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| Chemical Names : |
naphthalene,1,2,3,4,4a,5,6,8a-octahydro-7-methyl-4-methylene-1-(1-methylethyl)- , 1,2,3,4,4a,5,6,8a-Octahydro-7-methyl-4-methylene-1-(1-methylethyl)-napthalene
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| Molecular Formula : |
C15H24
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| Molecular Weight : |
204.187801
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More Details :
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| Names & Synonyms: |
(1R,4aR,8aS)-1-isopropyl-7-methyl-4-methylene-2,3,4a,5,6,8a-hexahydro-1H-naphthalene , (1R,4aR,8aS)-7-methyl-4-methylene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene , (1R,4aR,8aS)-7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene
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| Smiles: |
CC1=C[C@H]2[C@@H](CC1)C(=C)CC[C@@H]2C(C)C
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| InChi : |
InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3/t13-,14+,15-/m1/s1
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| InChi Key : |
InChIKey=WRHGORWNJGOVQY-QLFBSQMISA-N
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| PubChem ID : |
6432308
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| Rotatable bond count : |
1
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
0
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Ionization potential : |
9.177689
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
1.100
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| XLogP : |
5.942
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VDW volume : |
238.010393
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| Molecular weight : |
204.187801
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HOMO-LUMO gap : |
10.452000
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| Herb list : |
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| Refrences & Litretures: |
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