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ScientificNameLabel
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6-Isopropenyl-4,8a-dimethyl-1,2,3,5,6,7,8,8a-octahydro-naphthalen-2-ol
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| PHCD compound ID : |
2474
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| Chemical Names : |
6-Isopropenyl-4,8a-dimethyl-1,2,3,5,6,7,8,8a-octahydro-naphthalen-2-ol
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| Molecular Formula : |
C15H24O1
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| Molecular Weight : |
220.182715
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More Details :
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| Names & Synonyms: |
6-isopropenyl-4,8a-dimethyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-2-ol , 4,8a-dimethyl-6-(1-methylethenyl)-2,3,5,6,7,8-hexahydro-1H-naphthalen-2-ol , 4,8a-dimethyl-6-prop-1-en-2-yl-2,3,5,6,7,8-hexahydro-1H-naphthalen-2-ol
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| Smiles: |
O[C@@H]1CC(=C2[C@@](C1)(C)CC[C@H](C2)C(=C)C)C
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| InChi : |
InChI=1S/C15H24O/c1-10(2)12-5-6-15(4)9-13(16)7-11(3)14(15)8-12/h12-13,16H,1,5-9H2,2-4H3/t12-,13-,15+/m1/s1
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| InChi Key : |
InChIKey=NFZWWJWNBXICBW-NFAWXSAZSA-N
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| PubChem ID : |
594234
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| Rotatable bond count : |
1
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
1
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Ionization potential : |
9.027666
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| Hydrogen bond donor count : |
1
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Electric dipole moment : |
2.412
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| XLogP : |
3.315
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VDW volume : |
246.80062
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| Molecular weight : |
220.182715
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HOMO-LUMO gap : |
10.130000
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| Herb list : |
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