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ScientificNameLabel
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Naphthalene,1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)
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| PHCD compound ID : |
1866
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| Chemical Names : |
Naphthalene,1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)
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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,4aS,8aR)-1-isopropyl-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalene , (1R,4aS,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,4a,5,6,8a-hexahydronaphthalene
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| Smiles: |
CC1=C[C@@H]2[C@H](CC1)C(=CC[C@@H]2C(C)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/h6,9-10,13-15H,5,7-8H2,1-4H3/t13-,14-,15+/m1/s1
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| InChi Key : |
InChIKey=QMAYBMKBYCGXDH-KFWWJZLASA-N
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| PubChem ID : |
12306046
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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 : |
8.989827
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
0.644
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| XLogP : |
5.897
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VDW volume : |
238.010393
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| Molecular weight : |
204.187801
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HOMO-LUMO gap : |
10.542000
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| Herb list : |
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| Refrences & Litretures: |
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