2-Methyl-1-pentene
PubChem CID: 12986
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| Compound Synonyms | 2-METHYL-1-PENTENE, 763-29-1, 2-Methylpent-1-ene, 2-Methylpentene, 4-Methyl-4-pentene, 1-Pentene, 2-methyl-, 2-Methyl-pentene-1, UNII-OKC25O38MC, EINECS 212-108-7, OKC25O38MC, NSC 73908, BRN 1340499, NSC-73908, 27236-46-0, C2H5CH2C(CH3)=CH2, CHEBI:141562, DTXSID901017356, 4-01-00-00841 (Beilstein Handbook Reference), MFCD00009405, 2methylpentene, iso-hexene, 2Methyl1pentene, 2Methylpent1ene, 2Methylpentene1, 4Methyl4pentene, 2-methyl pentene-1, 1Methyl1propylethylene, 1-methyl-1-propylethylene, DTXCID5030795, WLN: 3Y1&U1, 2-Methyl-1-pentene, >=99%, NSC73908, AKOS009157871, 2-Methyl-1-pentene, analytical standard, DB-056048, M0245, NS00079384, D91296, EN300-256165, Q27285703 |
|---|---|
| Ghose Rule | False |
| 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 | CCCC=C)C |
| Heavy Atom Count | 6.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Classyfire Subclass | Branched unsaturated hydrocarbons |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 44.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methylpent-1-ene |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 3.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H12 |
| Inchi Key | WWUVJRULCWHUSA-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 2-methyl-1-pentene |
| Esol Class | Soluble |
| Functional Groups | C=C(C)C |
| Compound Name | 2-Methyl-1-pentene |
| Exact Mass | 84.0939 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 84.0939 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 84.16 |
| 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/C6H12/c1-4-5-6(2)3/h2,4-5H2,1,3H3 |
| Smiles | CCCC(=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 Mangifera Indica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2010.10643795