Hexane, 1-(pentyloxy)-
PubChem CID: 36108
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| Compound Synonyms | Hexane, 1-(pentyloxy)-, 32357-83-8, Ether, hexyl pentyl, Hexyl pentyl ether, amyl hexylate, 1-(Pentyloxy)hexane #, 1-(PENTYLOXY)HEXANE, SCHEMBL198358, DTXSID6067674 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | CCCCCOCCCCCC |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Ethers |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 71.4 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-pentoxyhexane |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 4.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H24O |
| Inchi Key | ABMGECRLBPHGSD-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 9.0 |
| Synonyms | 1-pentoxyhexane |
| Esol Class | Soluble |
| Functional Groups | COC |
| Compound Name | Hexane, 1-(pentyloxy)- |
| Exact Mass | 172.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 172.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 172.31 |
| Gi Absorption | True |
| 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/C11H24O/c1-3-5-7-9-11-12-10-8-6-4-2/h3-11H2,1-2H3 |
| Smiles | CCCCCCOCCCCC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Rhizophora Apiculata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.909748 - 2. Outgoing r'ship
FOUND_INto/from Rhizophora Mucronata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.909748