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ScientificNameLabel
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2,2,4,4,7,7-Hexamethyloctahydro-H-indene
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| PHCD compound ID : |
229
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| Chemical Names : |
2,2,4,4,7,7-Hexamethyloctahydro-H-indene
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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: |
2,2,4,4,7,7-hexamethyl-1,3,3a,5,6,7a-hexahydroindene
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| Smiles: |
CC1(C)C[C@H]2[C@H](C1)C(C)(C)CCC2(C)C
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| InChi : |
InChI=1S/C15H28/c1-13(2)9-11-12(10-13)15(5,6)8-7-14(11,3)4/h11-12H,7-10H2,1-6H3/t11-,12-/m0/s1
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| InChi Key : |
InChIKey=RKCBUJRCTQZATH-RYUDHWBXSA-N
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| PubChem ID : |
41207
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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 : |
10.282710
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
0.013
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| XLogP : |
8.001
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VDW volume : |
243.283311
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| Molecular weight : |
208.219101
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HOMO-LUMO gap : |
13.975000
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| Herb list : |
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