4-Methyl-1-pentene
PubChem CID: 12724
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| Compound Synonyms | 4-METHYL-1-PENTENE, 691-37-2, 4-Methylpent-1-ene, 1-Pentene, 4-methyl-, Isobutylethene, 4-methylpentene, UNII-X10HRJ2Y7W, X10HRJ2Y7W, 4-Methylpentene-(1), EINECS 211-720-1, NSC 15091, NSC-15091, (CH3)2CHCH2CH=CH2, DTXSID3061001, EC 211-720-1, Isohexene, 4-methylpentene-1, 4Methylpent1ene, 1Pentene, 4methyl, MFCD00008949, 4-methyl pent-1-ene, 4-Methyl-1-pentene, 98%, DTXCID8046454, CHEBI:230295, NSC15091, AKOS009158728, 4-Methyl-1-pentene, analytical standard, M0392, NS00003382, EN300-76395, Q229999, 1-Pentene, 4-methyl-, 4-Methyl-1-pentene, 4-Methyl-1-amylene, 4-Methylpentene-1, Isobutylethene, NSC 15091 |
|---|---|
| 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 | Hydrocarbons |
| Deep Smiles | C=CCCC)C |
| Heavy Atom Count | 6.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Classyfire Subclass | Unsaturated aliphatic hydrocarbons |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 35.3 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methylpent-1-ene |
| Class | Unsaturated hydrocarbons |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 2.7 |
| Superclass | Hydrocarbons |
| Subclass | Unsaturated aliphatic hydrocarbons |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H12 |
| Inchi Key | WSSSPWUEQFSQQG-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | Poly(4-methyl-1-pentene), 4-methyl-1-pentene |
| Esol Class | Very soluble |
| Functional Groups | C=CC |
| Compound Name | 4-Methyl-1-pentene |
| Kingdom | Organic compounds |
| 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 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H12/c1-4-5-6(2)3/h4,6H,1,5H2,2-3H3 |
| Smiles | CC(C)CC=C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Unsaturated aliphatic hydrocarbons |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Rosa Canina (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2019.1604167