Cyclooctanemethanol
PubChem CID: 77196
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| Compound Synonyms | Cyclooctanemethanol, Cyclooctylmethanol, 3637-63-6, Cyclooctyl carbinol, hydroxymethylcyclooctane, EINECS 222-862-9, AI3-38562, DTXSID30189897, NSC 100744, Cyclooctylcarbinol, cyclooctane methanol, NSC100744, SCHEMBL195390, DTXCID90112388, CHEBI:229453, DAA63763, MFCD00001749, AKOS009158350, NSC-100744, DB-243320, CS-0072541, NS00047640, F82298, EN300-1265853, F0001-1041, 222-862-9 |
|---|---|
| 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 | Hydrocarbons |
| Deep Smiles | OCCCCCCCCC8 |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCCCCCC1 |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 72.8 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | cyclooctylmethanol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 3.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H18O |
| Scaffold Graph Node Bond Level | C1CCCCCCC1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZHPBLHYKDKSZCQ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 1.0 |
| Logs | -2.573 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.623 |
| Synonyms | cyclooctanemethanol |
| Esol Class | Soluble |
| Functional Groups | CO |
| Compound Name | Cyclooctanemethanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 142.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 142.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 142.24 |
| 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 |
| Esol | -2.5459004000000007 |
| Inchi | InChI=1S/C9H18O/c10-8-9-6-4-2-1-3-5-7-9/h9-10H,1-8H2 |
| Smiles | C1CCCC(CCC1)CO |
| Nring | 1.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Origanum Majorana (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1264276 - 2. Outgoing r'ship
FOUND_INto/from Sagittaria Sagitifolia (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Sagittaria Sagittifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Sagittaria Trifolia (Plant) Rel Props:Reference: