Bicyclo(10.1.0)tridec-1-ene
PubChem CID: 548879
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| Compound Synonyms | Bicyclo[10.1.0]tridec-1-ene, 54766-91-5, DTXSID60338391, Bicyclo(10.1.0)tridec-1-ene, DTXCID20289476 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCCC2CC2CCCC1 |
| Np Classifier Class | Lactones |
| Deep Smiles | CCCCCC=CCCCCC%12))))C3 |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Polycyclic hydrocarbons |
| Scaffold Graph Node Level | C1CCCCCC2CC2CCCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 178.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | bicyclo[10.1.0]tridec-1-ene |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 5.1 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C13H22 |
| Scaffold Graph Node Bond Level | C1=C2CC2CCCCCCCCC1 |
| Inchi Key | HBCJKSFKKMFQIA-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | bicyclo[10,1,0]tridec-1-ene |
| Esol Class | Moderately soluble |
| Functional Groups | CC=C1CC1 |
| Compound Name | Bicyclo(10.1.0)tridec-1-ene |
| Exact Mass | 178.172 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 178.172 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 178.31 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C13H22/c1-2-4-6-8-10-13-11-12(13)9-7-5-3-1/h9,13H,1-8,10-11H2 |
| Smiles | C1CCCCC=C2CC2CCCC1 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Nepeta Nuda (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1407678