6-Undecanol
PubChem CID: 32045
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| Compound Synonyms | 6-UNDECANOL, 23708-56-7, Undecan-6-ol, Undecanol-6, Diamyl carbinol, EINECS 245-837-4, AI3-35684, DTXSID60178370, NSC 158434, diamylcarbinol, 1-pentylhexanol, 6-hendecanol, 6-hydroxyundecane, MFCD00021951, NSC158434, SCHEMBL327431, DTXCID90100861, CHEBI:195613, AKOS009156656, NSC-158434, BS-16727, DB-242892, CS-0152329, NS00027473, U0040, T72127, 245-837-4 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty alcohols |
| Deep Smiles | CCCCCCCCCCC)))))O |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 71.1 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | undecan-6-ol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H24O |
| Prediction Swissadme | 0.0 |
| Inchi Key | YBIXBBGRHOUVBB-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 1.0 |
| Logs | -3.476 |
| Rotatable Bond Count | 8.0 |
| Logd | 3.554 |
| Synonyms | 6-undecanol |
| Esol Class | Soluble |
| Functional Groups | CO |
| Compound Name | 6-Undecanol |
| Prediction Hob Swissadme | 0.0 |
| 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 |
| Esol | -3.0767344 |
| Inchi | InChI=1S/C11H24O/c1-3-5-7-9-11(12)10-8-6-4-2/h11-12H,3-10H2,1-2H3 |
| Smiles | CCCCCC(CCCCC)O |
| Nring | 0.0 |
| 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 Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Anisochilus Carnosus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972-060x.2003.10643332