(3E)-2-Methyl-1,3-pentadiene
PubChem CID: 638070
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| Compound Synonyms | 2-METHYL-1,3-PENTADIENE, trans-2-Methyl-1,3-pentadiene, 926-54-5, (3E)-2-methylpenta-1,3-diene, trans-2-Methylpenta-1,3-diene, EINECS 213-136-2, (3E)-2-Methyl-1,3-pentadiene, DTXSID101020907, EINECS 214-264-1, NSC 123452, RU7NHQ8VSH, 2-Methyl-1,3-pentadiene,c&t, CH2=C(CH3)CH=CHCH3, (e)-2-methyl-1,3-pentadiene, NSC-123452, NSC123452, 1,3-Pentadiene, 2-methyl-, (E)-, UNII-RU7NHQ8VSH, 2-methyl-penta-1,3-trans-diene, DTXCID60210865, (E)-CH2=C(CH3)CH=CHCH3, AKOS006229866, 1,3-pentadiene, 2-methyl-, (3E)-, FM158789, DB-246406, NS00079680, InChI=1/C6H10/c1-4-5-6(2)3/h4-5H,2H2,1,3H3/b5-4, 213-136-2 |
|---|---|
| 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/C=C/C=C)C |
| Heavy Atom Count | 6.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Classyfire Subclass | Branched unsaturated hydrocarbons |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 68.1 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3E)-2-methylpenta-1,3-diene |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 2.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H10 |
| Inchi Key | RCJMVGJKROQDCB-SNAWJCMRSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 2-methylpenta-1,3-diene |
| Esol Class | Very soluble |
| Functional Groups | C=C(C)/C=C/C |
| Compound Name | (3E)-2-Methyl-1,3-pentadiene |
| Exact Mass | 82.0783 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 82.0783 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 82.14 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H10/c1-4-5-6(2)3/h4-5H,2H2,1,3H3/b5-4+ |
| Smiles | C/C=C/C(=C)C |
| 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 Actinidia Arguta (Plant) Rel Props:Reference:https://doi.org/10.1016/s0031-9422(03)00142-0