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ScientificNameLabel
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1,2,3,1,2,3-Hexamethyl-bicyclopentyl-2,2-diene
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| PHCD compound ID : |
5197
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| Chemical Names : |
1,2,3,1,2,3-Hexamethyl-bicyclopentyl-2,2-diene
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| Molecular Formula : |
C16H26
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| Molecular Weight : |
218.203451
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More Details :
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| Names & Synonyms: |
1,2,3-trimethyl-3-(1,2,3-trimethylcyclopent-2-en-1-yl)cyclopentene , 1,2,3-trimethyl-3-(1,2,3-trimethyl-1-cyclopent-2-enyl)cyclopentene
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| Smiles: |
CC1=C(C)CC[C@]1(C)[C@]1(C)CCC(=C1C)C
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| InChi : |
InChI=1S/C16H26/c1-11-7-9-15(5,13(11)3)16(6)10-8-12(2)14(16)4/h7-10H2,1-6H3/t15-,16+
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| InChi Key : |
InChIKey=SSWYDPVBCVANKL-IYBDPMFKSA-N
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| PubChem ID : |
573122
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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 : |
8.621166
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
0.009
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| XLogP : |
5.26
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VDW volume : |
255.306378
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| Molecular weight : |
218.203451
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HOMO-LUMO gap : |
10.093000
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| Herb list : |
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