3-Decen-2-one, (3E)-
PubChem CID: 5363233
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| Compound Synonyms | 3-Decen-2-one, 10519-33-2, dec-3-en-2-one, Heptylidene acetone, (E)-dec-3-en-2-one, Oenanthylidene acetone, Trans-3-decen-2-one, (E)-3-Decen-2-one, 18402-84-1, (3E)-Dec-3-en-2-one, Enanthylidene acetone, 3-Decen-2-one, (E)-, FEMA No. 3532, 3-Decen-2-one, (3E)-, Z22804BQXD, EINECS 234-059-0, (3E)-3-Decen-2-one, 3-DECEN-2-ONE [FHFI], DTXSID201315551, (3E)-3-DECEN-2-ONE [MI], DTXSID60864286, UNII-Z22804BQXD, Heptylidene acetone, Oenanthylidene acetone, SmartBlock, 3-Decen-2-one, trans-Decen-2-al, MFCD00015700, SCHEMBL120780, CHEMBL206566, DTXCID00909584, DTXCID60812823, AKOS027320081, AS-40174, CS-0440272, D1933, Q27294888, 3-Decen-2-one, predominantly trans, >=97%, stabilized, FG, 234-059-0, 701-234-2 |
|---|---|
| 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 | CCCCCC/C=C/C=O)C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 125.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-dec-3-en-2-one |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 3.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | JRPDANVNRUIUAB-CMDGGOBGSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.7 |
| Logs | -2.594 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.129 |
| Synonyms | 3-decen-2-one |
| Esol Class | Soluble |
| Functional Groups | C/C=C/C(C)=O |
| Compound Name | 3-Decen-2-one, (3E)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 154.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 154.25 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Esol | -2.5234686 |
| Inchi | InChI=1S/C10H18O/c1-3-4-5-6-7-8-9-10(2)11/h8-9H,3-7H2,1-2H3/b9-8+ |
| Smiles | CCCCCC/C=C/C(=O)C |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Magnolia Liliiflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Xanthium Orientale (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3084