2-Methyl-2-butene
PubChem CID: 10553
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| Compound Synonyms | 2-Methyl-2-butene, 2-Methylbut-2-ene, 513-35-9, AMYLENE, Trimethylethylene, 2-Butene, 2-methyl-, n-Amylene, 3-Methyl-2-butene, 2-Methylbutene-2, 1,1,2-Trimethylethylene, Ethylene, trimethyl-, beta-Isoamylene, .beta.-Isoamylene, Amylene (VAN), b-isoamylene, Methyl butene, UNII-HR68LQ4T3X, HR68LQ4T3X, MFCD00009276, HSDB 2072, AMYLENE [HSDB], AMYLENE [MI], EINECS 208-156-3, NSC 74118, NSC-74118, UN2460, (CH3)2C=CHCH3, AI3-37711, DTXSID8027165, CHEBI:77916, EC 208-156-3, UN 2460, 2-Methyl-2-butene, Technical Grade 90%, 28265-98-7, trimethylethene, betaIsoamylene, iso-amylene, tert-amylene, trimethyl ethene, 2Methylbut2ene, 3Methyl2butene, ss -Isoamylene, 2-methyl2-butene, 2Butene, 2methyl, Ethylene, trimethyl, P1W, 2-methyl 2-butene, 2-methyl-2 butene, 2-Methyl-2-buten, Methyl butene (dot), 2-methy-but-2-ene, 2-methyl-but-2-ene, 1,2-Trimethylethylene, 1,1,2Trimethylethylene, 1,1, 2-Trimethylethylene, 2-Methyl-2-butene solution, 2-Methyl-2-butene [UN2460] [Flammable liquid], DTXCID707165, CHEBI:28798, CHEBI:53406, WLN: 2UY1&1, NSC74118, AKOS009157092, 2-Methyl-2-butene, analytical standard, 2-Methyl-2-butene, >=95.0% (GC), 2-Methyl-2-butene, technical grade, 90%, M0708, NS00002546, P0067, EN300-50207, 2-Methyl-2-butene, Technical Grade 90per cent, A828541, Q2187069, 2-Methyl-2-butene, >=99%, purified by redistillation, 2-Methyl-2-butene, tech. 90%, remainder mainly 2-methyl-1-butene |
|---|---|
| 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 | CC=CC)C |
| Heavy Atom Count | 5.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Classyfire Subclass | Branched unsaturated hydrocarbons |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 38.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methylbut-2-ene |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 2.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BKOOMYPCSUNDGP-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.6 |
| Logs | -2.554 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.555 |
| Synonyms | 2-methyl-2-butene |
| Esol Class | Very soluble |
| Functional Groups | CC=C(C)C |
| Compound Name | 2-Methyl-2-butene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 70.0783 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 70.0783 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 70.13 |
| 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 |
| Esol | -1.956937 |
| Inchi | InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3 |
| Smiles | CC=C(C)C |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Mongolica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Coccoloba Uvifera (Plant) Rel Props:Reference:ISBN:9788172362133 - 3. Outgoing r'ship
FOUND_INto/from Corymbia Citriodora (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698798 - 4. Outgoing r'ship
FOUND_INto/from Lilium Hansonii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Lycopersicon Esculentum (Plant) Rel Props:Source_db:npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Olea Europaea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Shorea Uliginosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Solanum Lycopersicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Sonchus Microcarpus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Strychnos Diplotricha (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all