4,7-Decadienal, (4Z,7Z)-
PubChem CID: 53249445
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 4,7-Decadienal, (Z,Z)-, 22644-09-3, (4Z,7Z)-deca-4,7-dienal, 4,7-Decadienal, (4Z,7Z)-, 0D7ZQ53IJI, UNII-0D7ZQ53IJI, (4Z, 7Z)-Decadienal, FEMA NO. 4927, (4Z,7Z)-, (4Z,7Z)-4,7-Decadienal, Z,Z-4,7-Decadienal, SCHEMBL7756368, CHEBI:184315, MZLGFRRNMCCNBB-CWWKMNTPSA-N |
|---|---|
| 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 | CC/C=CC/C=CCCC=O |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 134.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (4Z,7Z)-deca-4,7-dienal |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 2.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H16O |
| Inchi Key | MZLGFRRNMCCNBB-CWWKMNTPSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 6.0 |
| Synonyms | (z,z)4,7-decadienal |
| Esol Class | Very soluble |
| Functional Groups | C/C=CC, CC=O |
| Compound Name | 4,7-Decadienal, (4Z,7Z)- |
| Exact Mass | 152.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 152.23 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H16O/c1-2-3-4-5-6-7-8-9-10-11/h3-4,6-7,10H,2,5,8-9H2,1H3/b4-3-,7-6- |
| Smiles | CC/C=C\C/C=C\CCC=O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Acorus Calamus (Plant) Rel Props:Reference:ISBN:9788172362140; ISBN:9788185042114