|
|
|
|
ScientificNameLabel
|
|
|
|
|
|
5(1H)-Azulenone,2,4,6,7,8,8a-hexahydro-3,8-dimethyl-4-(1-methylethylidene)-,(8S-cis)-
|
| PHCD compound ID : |
5734
|
| Chemical Names : |
5(1H)-Azulenone,2,4,6,7,8,8a-hexahydro-3,8-dimethyl-4-(1-methylethylidene)-,(8S-cis)-
|
| Molecular Formula : |
C15H22O1
|
| Molecular Weight : |
218.167065
|
|
|
|
|
|
|
|
More Details :
|
|
|
| Names & Synonyms: |
(8S,8aS)-4-isopropylidene-3,8-dimethyl-1,2,6,7,8,8a-hexahydroazulen-5-one , (8S,8aS)-3,8-dimethyl-4-propan-2-ylidene-1,2,6,7,8,8a-hexahydroazulen-5-one , (8S,8aS)-3,8-dimethyl-4-propan-2-ylidene-1,2,6,7,8,8a-hexahydroazulen-5-one
|
| Smiles: |
C[C@H]1CCC(=O)C(=C(C)C)C2=C(CC[C@@H]12)C
|
| InChi : |
InChI=1S/C15H22O/c1-9(2)14-13(16)8-6-10(3)12-7-5-11(4)15(12)14/h10,12H,5-8H2,1-4H3/t10-,12-/m0/s1
|
| InChi Key : |
InChIKey=OONKKRRSPIDEBA-JQWIXIFHSA-N
|
| PubChem ID : |
91735354
|
|
|
|
| Rotatable bond count : |
0
|
Rule of five : |
0
|
| Hydrogen bond acceptor count : |
1
|
Ionization potential : |
8.900349
|
| Hydrogen bond donor count : |
0
|
Electric dipole moment : |
3.099
|
| XLogP : |
3.626
|
VDW volume : |
244.164161
|
| Molecular weight : |
218.167065
|
HOMO-LUMO gap : |
9.594000
|
|
|
|
| Herb list : |
|
| Refrences & Litretures: |
|
|
|
|
|
|
|