2-Tridecylfuran
PubChem CID: 6857795
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| Compound Synonyms | AVOCADANOFURAN, Furan, 2-tridecyl-, 2-tridecylfuran, 25346-22-9, SDCCGMLS-0066915.P001, SPECTRUM1505806, SCHEMBL8760627, DTXSID90425900, LFPGJDSJDXWCIJ-UHFFFAOYSA-N, NCGC00095827-01, SR-05000002497, SR-05000002497-1 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 13.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCC1 |
| Deep Smiles | CCCCCCCCCCCCCcccco5 |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Heteroaromatic compounds |
| Scaffold Graph Node Level | C1CCOC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 167.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-tridecylfuran |
| Veber Rule | False |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 8.0 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C17H30O |
| Scaffold Graph Node Bond Level | c1ccoc1 |
| Inchi Key | LFPGJDSJDXWCIJ-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 12.0 |
| Synonyms | avogadenofuran |
| Esol Class | Moderately soluble |
| Functional Groups | coc |
| Compound Name | 2-Tridecylfuran |
| Exact Mass | 250.23 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 250.23 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 250.4 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C17H30O/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18-17/h13,15-16H,2-12,14H2,1H3 |
| Smiles | CCCCCCCCCCCCCC1=CC=CO1 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
- 1. Outgoing r'ship
FOUND_INto/from Persea Americana (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9712197