12-Oxabicyclo[9.1.0]dodeca-3,7-diene
PubChem CID: 118325754
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| Compound Synonyms | SCHEMBL17027683, 12-oxabicyclo[9.1.0]dodeca-3,7-diene |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 12.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC2CC2CCCC1 |
| Deep Smiles | CC/C=CCCCCC/C=C%11))))O3 |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Epoxides |
| Scaffold Graph Node Level | C1CCCCC2OC2CCCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 193.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3Z,7Z)-12-oxabicyclo[9.1.0]dodeca-3,7-diene |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H16O |
| Scaffold Graph Node Bond Level | C1=CCCC2OC2CC=CCC1 |
| Inchi Key | UXIDQHJXTXQPNK-ILNZVKDWSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 12-oxabicyclo[9.1.0]dodeca-3,7-diene, 12-oxabicyclo[9.1.0]dodeca-3,7-diene c |
| Esol Class | Soluble |
| Functional Groups | C/C=CC, CC1OC1C |
| Compound Name | 12-Oxabicyclo[9.1.0]dodeca-3,7-diene |
| Exact Mass | 164.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 164.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 164.24 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 2.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C11H16O/c1-2-4-6-8-10-11(12-10)9-7-5-3-1/h2,4-5,7,10-11H,1,3,6,8-9H2/b4-2-,7-5- |
| Smiles | C/1C/C=C\CC2C(O2)CC/C=C1 |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | True |
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FOUND_INto/from Psidium Guajava (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.892840