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ScientificNameLabel
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Rosifoliol
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| PHCD compound ID : |
1890
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| Chemical Names : |
Rosifoliol , 2-Naphthalenemethanol,2,3,4,4a,5,6,7,8-octahydro-alpha,alpha,4a,8-tetramethyl
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| Molecular Formula : |
C15H26O1
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| Molecular Weight : |
222.198365
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More Details :
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| Names & Synonyms: |
2-(4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl)propan-2-ol , 2-(4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl)-2-propanol
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| Smiles: |
C[C@@H]1CCC[C@]2(C1=C[C@@H](CC2)C(O)(C)C)C
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| InChi : |
InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h10-12,16H,5-9H2,1-4H3/t11-,12-,15-/m1/s1
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| InChi Key : |
InChIKey=SRHDLIDOZXPROB-LALPHHSUSA-N
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| PubChem ID : |
527256
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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 : |
8.978774
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| Hydrogen bond donor count : |
1
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Electric dipole moment : |
1.865
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| XLogP : |
4.478
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VDW volume : |
249.437079
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| Molecular weight : |
222.198365
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HOMO-LUMO gap : |
10.541000
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