![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
CNL : Summary
Code ![](/pdbe/static/images/help.png)
|
CNL
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE
|
Synonyms ![](/pdbe/static/images/help.png)
|
1,8-CINEOLE
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C10 H18 O
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
154.249 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
O2C1(CCC(CC1)C2(C)C)C |
SMILES
|
CACTVS |
3.341 |
CC12CCC(CC1)C(C)(C)O2 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
CC1(C2CCC(O1)(CC2)C)C |
Canonical SMILES
|
CACTVS |
3.341 |
CC12CCC(CC1)C(C)(C)O2 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
CC1(C2CCC(O1)(CC2)C)C |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3/t8-,10+ |
IUPAC InChI key ![](/pdbe/static/images/help.png) | WEEGYLXZBRQIMU-WAAGHKOSSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
29 (11 without Hydrogen)
|
Polymer type ![](/pdbe/static/images/help.png)
|
Bound ligand
|
Type description ![](/pdbe/static/images/help.png)
|
NON-POLYMER
|
Type code ![](/pdbe/static/images/help.png)
|
HETAIN
|
Is modified ![](/pdbe/static/images/help.png)
|
No
|
Standard parent ![](/pdbe/static/images/help.png)
|
Not Assigned
|
Defined at ![](/pdbe/static/images/help.png)
|
2005-04-04
|
Last modified at ![](/pdbe/static/images/help.png)
|
2020-06-17
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|