|
|
|
|
ScientificNameLabel
|
|
|
|
|
|
More Details :
|
|
|
| Names & Synonyms: |
(8S)-8-isopropyl-5-methyl-3,4,4a,7,8,8a-hexahydronaphthalene-2-carbaldehyde , (8S)-5-methyl-8-propan-2-yl-3,4,4a,7,8,8a-hexahydronaphthalene-2-carboxaldehyde , (8S)-5-methyl-8-propan-2-yl-3,4,4a,7,8,8a-hexahydronaphthalene-2-carbaldehyde
|
| Smiles: |
O=CC1=C[C@H]2[C@@H](CC1)C(=CC[C@H]2C(C)C)C
|
| InChi : |
InChI=1S/C15H22O/c1-10(2)13-6-4-11(3)14-7-5-12(9-16)8-15(13)14/h4,8-10,13-15H,5-7H2,1-3H3/t13-,14-,15+/m0/s1
|
| InChi Key : |
InChIKey=XOJRZWAZKRAFFU-SOUVJXGZSA-N
|
| PubChem ID : |
6428282
|
|
|
|
| Rotatable bond count : |
2
|
Rule of five : |
0
|
| Hydrogen bond acceptor count : |
1
|
Ionization potential : |
9.258209
|
| Hydrogen bond donor count : |
0
|
Electric dipole moment : |
3.615
|
| XLogP : |
4.523
|
VDW volume : |
244.164161
|
| Molecular weight : |
218.167065
|
HOMO-LUMO gap : |
9.212000
|
|
|
|
| Herb list : |
|
| Refrences & Litretures: |
|
|
|
|
|
|
|