|
|
|
|
ScientificNameLabel
|
|
|
|
|
|
More Details :
|
|
|
| Names & Synonyms: |
2-[(2S,4aR,8aR)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]propan-2-ol , 2-[(2S,4aR,8aR)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]-2-propanol
|
| Smiles: |
CC1=CCC[C@]2([C@H]1C[C@H](CC2)C(O)(C)C)C
|
| InChi : |
InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h6,12-13,16H,5,7-10H2,1-4H3/t12-,13-,15+/m0/s1
|
| InChi Key : |
InChIKey=FCSRUSQUAVXUKK-KCQAQPDRSA-N
|
| PubChem ID : |
12304196
|
|
|
|
| Rotatable bond count : |
1
|
Rule of five : |
0
|
| Hydrogen bond acceptor count : |
1
|
Ionization potential : |
8.943401
|
| Hydrogen bond donor count : |
1
|
Electric dipole moment : |
2.138
|
| XLogP : |
4.785
|
VDW volume : |
249.437079
|
| Molecular weight : |
222.198365
|
HOMO-LUMO gap : |
10.505000
|
|
|
|
| Herb list : |
|
| Refrences & Litretures: |
|
|
|
|
|
|
|