13-Oxabicyclo(10.1.0)trideca-4,8-diene, 1,5,9-trimethyl-
PubChem CID: 6436727
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| Compound Synonyms | 13786-79-3, EINECS 237-443-6, 1,5,9-TRIMETHYL-13-OXABICYCLO[10.1.0]TRIDECA-4,8-DIENE, DTXSID6051697, (4E,8E)-1,5,9-TRIMETHYL-13-OXABICYCLO[10.1.0]TRIDECA-4,8-DIENE, 13-Oxabicyclo(10.1.0)trideca-4,8-diene, 1,5,9-trimethyl-, (4Z,8Z)-1,5,9-TRIMETHYL-13-OXABICYCLO[10.1.0]TRIDECA-4,8-DIENE, 1,5,9-Trimethyl-13-oxabicyclo(10.1.0)trideca-4,8-diene, 13-Oxabicyclo[10.1.0]trideca-4,8-diene, 1,5,9-trimethyl-, Cedroxyde, SCHEMBL4615726, DTXCID9030252, NS00013297, 13-Oxabicyclo10.1.0trideca-4,8-diene, 1,5,9-trimethyl-, 237-443-6 |
|---|---|
| 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 | C1CCCCCC2CC2CCCC1 |
| Np Classifier Class | Cembrane diterpenoids |
| Deep Smiles | C/C=CCCCC)OC3CC/C=C/CC%13)))/C |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Epoxides |
| Scaffold Graph Node Level | C1CCCCCC2OC2CCCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 313.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (4E,8E)-1,5,9-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.2 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C15H24O |
| Scaffold Graph Node Bond Level | C1=CCCC2OC2CCC=CCC1 |
| Inchi Key | PAZWFUGWOAQBJJ-SWZPTJTJSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | cedroxyde |
| Esol Class | Soluble |
| Functional Groups | C/C=C(/C)C, CC1OC1(C)C |
| Compound Name | 13-Oxabicyclo(10.1.0)trideca-4,8-diene, 1,5,9-trimethyl- |
| Exact Mass | 220.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 220.35 |
| 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/C15H24O/c1-12-6-4-7-13(2)9-10-14-15(3,16-14)11-5-8-12/h7-8,14H,4-6,9-11H2,1-3H3/b12-8+,13-7+ |
| Smiles | C/C/1=C\CCC2(C(O2)CC/C(=C/CC1)/C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | True |
| Np Classifier Superclass | Diterpenoids |
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