10-Nonadecanone
PubChem CID: 10441
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| Compound Synonyms | 10-NONADECANONE, 504-57-4, nonadecan-10-one, Dinonyl ketone, Di-n-nonyl ketone, Caprinone, AI3-05050, NSC 1773, EINECS 207-994-7, MFCD00009584, E8H9VX2WEG, DTXSID7060126, NSC-1773, UNII-E8H9VX2WEG, SCHEMBL168850, Dinonyl ketone, 10-Nonadecanone, DTXCID5040833, NSC1773, BBL027761, STL146347, AKOS005721104, FC69823, AS-56662, SY054000, DB-051779, CS-0203555, N0658, NS00043376, EN300-19774, D78419, Z104475296, 207-994-7 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Oxygenated hydrocarbons |
| Deep Smiles | CCCCCCCCCC=O)CCCCCCCCC |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 178.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | nonadecan-10-one |
| Prediction Hob | 1.0 |
| Veber Rule | False |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 8.1 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C19H38O |
| Prediction Swissadme | 0.0 |
| Inchi Key | YUPOCHDBBHTUBJ-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Fcsp3 | 0.9473684210526316 |
| Logs | -6.583 |
| Rotatable Bond Count | 16.0 |
| Logd | 4.798 |
| Synonyms | 10-nonadecanone, nonadecanone-10 |
| Esol Class | Moderately soluble |
| Functional Groups | CC(C)=O |
| Compound Name | 10-Nonadecanone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 282.292 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 282.292 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 282.5 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -5.638574399999999 |
| Inchi | InChI=1S/C19H38O/c1-3-5-7-9-11-13-15-17-19(20)18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3 |
| Smiles | CCCCCCCCCC(=O)CCCCCCCCC |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Anchusa Strigosa (Plant) Rel Props:Reference:ISBN:9788172362089 - 2. Outgoing r'ship
FOUND_INto/from Hibiscus Micranthus (Plant) Rel Props:Reference:ISBN:9770972795006 - 3. Outgoing r'ship
FOUND_INto/from Houttuynia Cordata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Terminalia Chebula (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all