2-Butene, 3-methyl-1-[(3-methyl-3-buten-1-yl)oxy]-
PubChem CID: 101097
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| Compound Synonyms | 59637-41-1, Bis-gamma, gamma-dimethylallyl ether, 2-methyl-4-[(3-methyl-2-butenyl)oxy]but-1-ene, 1-Butene, 2-methyl-4-[(3-methyl-2-butenyl)oxy]-, EINECS 261-829-3, 2-Methyl-4-((3-methyl-2-butenyl)oxy)but-1-ene, 1-Butene, 2-methyl-4-((3-methyl-2-butenyl)oxy)-, 2-Butene, 3-methyl-1-((3-methyl-3-buten-1-yl)oxy)-, T9N6YC888T, 2-Butene, 3-methyl-1-[(3-methyl-3-buten-1-yl)oxy]-, 3-methyl-1-(3-methylbut-3-enoxy)but-2-ene, UNII-T9N6YC888T, DTXSID9069342, SCHEMBL11135438, Bis-.gamma., .gamma.-dimethylallyl ether, DB-303524, NS00034205, 3-Methyl-3-butenyl 3-methyl-2-butenyl ether, 2-Methyl-4-[(3-methyl-2-butenyl)oxy]-1-butene #, 3-Methyl-1-[(3-methyl-3-buten-1-yl)oxy]-2-butene |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Acyclic monoterpenoids |
| Deep Smiles | CC=C)CCOCC=CC)C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Ethers |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 141.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methyl-1-(3-methylbut-3-enoxy)but-2-ene |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 3.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H18O |
| Inchi Key | SBKPSGLYGQUMEX-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | 2-methyl-4[(3-methyl-2-butenyl)oxy]-1-butene |
| Esol Class | Soluble |
| Functional Groups | C=C(C)C, CC=C(C)C, COC |
| Compound Name | 2-Butene, 3-methyl-1-[(3-methyl-3-buten-1-yl)oxy]- |
| Exact Mass | 154.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 154.25 |
| Gi Absorption | True |
| 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/C10H18O/c1-9(2)5-7-11-8-6-10(3)4/h6H,1,5,7-8H2,2-4H3 |
| Smiles | CC(=CCOCCC(=C)C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Aurantiifolia (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1232609