trans-4-Decen-1-al
PubChem CID: 5702654
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| Compound Synonyms | trans-4-Decen-1-al, 65405-70-1, 4-Decenal, (E)-dec-4-enal, trans-4-decenal, (E)-4-Decenal, 4-trans-Decenal, 4-Decenal, (E)-, 4-Decenal, (4E)-, Dec-4-enal, FEMA No. 3264, 30390-50-2, KZ74B5801J, (4e)-4-decenal, 4-Decene-1-al, (4E)-dec-4-enal, UNII-KZ74B5801J, trans4-Decenal, trans-dec-4-enal, EINECS 265-741-6, MFCD00065447, 4E-Decen-1-al, 4-Decenal,(4E)-, 4-DECENAL [FHFI], 4-DECENAL, TRANS-, SCHEMBL1626853, SCHEMBL1626855, DTXSID0052338, CWRKZMLUDFBPAO-UHFFFAOYSA-N, AKOS015916319, BS-23871, NS00012196, G71081, Q27282519 |
|---|---|
| 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 | Fatty aldehydes |
| Deep Smiles | CCCCC/C=C/CCC=O |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 105.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-dec-4-enal |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 3.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H18O |
| Inchi Key | CWRKZMLUDFBPAO-VOTSOKGWSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 7.0 |
| Synonyms | (e)-4-decenal |
| Esol Class | Soluble |
| Functional Groups | C/C=C/C, CC=O |
| Compound Name | trans-4-Decen-1-al |
| 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 |
| Inchi | InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h6-7,10H,2-5,8-9H2,1H3/b7-6+ |
| Smiles | CCCCC/C=C/CCC=O |
| 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 Coriandrum Sativum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643979 - 2. Outgoing r'ship
FOUND_INto/from Eryngium Foetidum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2006.10643499