Cyclooctanol
PubChem CID: 12766
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| Compound Synonyms | CYCLOOCTANOL, 696-71-9, Cyclooctyl alcohol, N948SW87NY, EINECS 211-800-6, MFCD00001744, NSC 60162, NSC-60162, FHADSMKORVFYOS-UHFFFAOYSA-, DTXSID80219875, UNII-N948SW87NY, SCHEMBL40903, CHEMBL457729, BDBM36194, DTXCID30142366, AAA69671, NSC60162, AKOS000119175, AS-56409, SY048785, CS-0204887, NS00036914, EN300-19101, D89280, Q2577904, Z104472780, 211-800-6 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCCCC1 |
| Np Classifier Class | Lactones |
| Deep Smiles | OCCCCCCCC8 |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCCCCCC1 |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 63.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | cyclooctanol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 1.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H16O |
| Scaffold Graph Node Bond Level | C1CCCCCCC1 |
| Inchi Key | FHADSMKORVFYOS-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | cyclooctanol |
| Esol Class | Very soluble |
| Functional Groups | CO |
| Compound Name | Cyclooctanol |
| Exact Mass | 128.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 128.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 128.21 |
| 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/C8H16O/c9-8-6-4-2-1-3-5-7-8/h8-9H,1-7H2 |
| Smiles | C1CCCC(CCC1)O |
| 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 Coriandrum Sativum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2008.10643676