2-Methyl-1-undecene
PubChem CID: 87689
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| Compound Synonyms | 2-Methyl-1-undecene, 2-Methylundec-1-ene, 18516-37-5, 1-Undecene, 2-methyl-, KX42D9YCJ2, EINECS 242-394-9, NSC-93957, DTXSID60171725, NSC 93957, MFCD00009585, NSC93957, 2-methyl-undec-1-ene, UNII-KX42D9YCJ2, 2-Methyl-1-undecene, 97%, DTXCID7094216, AKOS015912735, DB-044551, NS00026071 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Acyclic monoterpenoids, Hydrocarbons |
| Deep Smiles | CCCCCCCCCC=C)C |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Classyfire Subclass | Branched unsaturated hydrocarbons |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 103.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methylundec-1-ene |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 6.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C12H24 |
| Inchi Key | SJVKHZYVCVKEGM-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 8.0 |
| Synonyms | 2-methyl-1-undecene |
| Esol Class | Moderately soluble |
| Functional Groups | C=C(C)C |
| Compound Name | 2-Methyl-1-undecene |
| Exact Mass | 168.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 168.32 |
| 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 |
| Inchi | InChI=1S/C12H24/c1-4-5-6-7-8-9-10-11-12(2)3/h2,4-11H2,1,3H3 |
| Smiles | CCCCCCCCCC(=C)C |
| Np Classifier Biosynthetic Pathway | Fatty acids, Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls, Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Alternanthera Sessilis (Plant) Rel Props:Reference:https://doi.org/10.7324/japs.2016.601222