2-Propyl-tetrahydropyran-3-ol
PubChem CID: 541755
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| Compound Synonyms | 2-Propyl-tetrahydropyran-3-ol, SMMBPJGNKCWQPY-UHFFFAOYSA-N, 2-Propyltetrahydro-2H-pyran-3-ol # |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | CCCCOCCCC6O |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Oxanes |
| Scaffold Graph Node Level | C1CCOCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 93.3 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-propyloxan-3-ol |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H16O2 |
| Scaffold Graph Node Bond Level | C1CCOCC1 |
| Inchi Key | SMMBPJGNKCWQPY-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 2-propyltetrahydropyran-3-ol |
| Esol Class | Very soluble |
| Functional Groups | CO, COC |
| Compound Name | 2-Propyl-tetrahydropyran-3-ol |
| Exact Mass | 144.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 144.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 144.21 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C8H16O2/c1-2-4-8-7(9)5-3-6-10-8/h7-9H,2-6H2,1H3 |
| Smiles | CCCC1C(CCCO1)O |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
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