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ScientificNameLabel
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Naphthalene,1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)
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| PHCD compound ID : |
2462
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| Chemical Names : |
Naphthalene,1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl) , naphthalene,1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-,(1R,7R,8aS)-
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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: |
3-isopropenyl-4a,5-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene , 4a,5-dimethyl-3-(1-methylethenyl)-2,3,4,5,6,7-hexahydro-1H-naphthalene , 4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene
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| Smiles: |
CC(=C)[C@@H]1CCC2=CCC[C@H]([C@@]2(C1)C)C
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| InChi : |
InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7,12-13H,1,5-6,8-10H2,2-4H3/t12-,13-,15+/m1/s1
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| InChi Key : |
InChIKey=QEBNYNLSCGVZOH-NFAWXSAZSA-N
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| PubChem ID : |
288227
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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 : |
9.145579
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
0.945
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| XLogP : |
5.846
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VDW volume : |
238.010393
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| Molecular weight : |
204.187801
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HOMO-LUMO gap : |
10.425000
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| Herb list : |
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