(Z)-14-methylhexadec-8-enal
PubChem CID: 5364688
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| Compound Synonyms | 60609-53-2, (Z)-14-Methylhexadec-8-enal, (Z)-14-METHYL-8-HEXADECEN-1-AL, (z)-14-methyl-8-hexadecenal, 8-Hexadecenal, 14-methyl-, (Z)-, EINECS 262-326-1, 14Z-Methyl-8-hexadecenal, 14-Methyl-Z-8-Hexadecenal, DTXSID20880740, 14-Methyl (8Z)-hexadecenal, 14-Methyl-8-hexadecen-1-AL, 14-Methyl-8Z-Hexadecenal, SCHEMBL593170, 14-Methyl-8-hexadecenal, Z-, (8Z)-14-Methyl-8-hexadecenal, DTXCID401022102, LMFA06000214, HY-W717924, CS-0823008, NS00087947, 14-Methyl-Z-8-Hexadecenal CAS 60609-53-2, 262-326-1 |
|---|---|
| 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 | O=CCCCCCC/C=CCCCCCCC))C |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty aldehydes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 196.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-14-methylhexadec-8-enal |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 6.4 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C17H32O |
| Inchi Key | HSGUJTMCFWXGAP-ALCCZGGFSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 13.0 |
| Synonyms | (z)-14-methyl-8-hexadecenal |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=CC, CC=O |
| Compound Name | (Z)-14-methylhexadec-8-enal |
| Exact Mass | 252.245 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 252.245 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 252.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C17H32O/c1-3-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16-18/h5,7,16-17H,3-4,6,8-15H2,1-2H3/b7-5- |
| Smiles | CCC(C)CCCC/C=C\CCCCCCC=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 Rhizophora Apiculata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.909748 - 2. Outgoing r'ship
FOUND_INto/from Rhizophora Mucronata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.909748