Butane, 2-chloro-2-methyl-
PubChem CID: 61143
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| Compound Synonyms | 2-Chloro-2-methylbutane, 594-36-5, tert-Amyl chloride, BUTANE, 2-CHLORO-2-METHYL-, 2-Methyl-2-chlorobutane, tert-Pentyl chloride, 1,1-Dimethylpropyl chloride, Tertiary pentyl chloride, QO6BZZ3FGR, NSC 7900, NSC-7900, EINECS 209-836-2, DTXSID0060484, 2-CHLORO-2-METHYLBUTANE [MI], MFCD00000818, UNII-QO6BZZ3FGR, SCHEMBL331880, DTXCID0042618, 2-Chloro-2-methylbutane, 98%, NSC7900, AKOS015915714, LS-13082, DB-000142, NS00034164, D89214, EN300-113428, Q7705229, 209-836-2 |
|---|---|
| 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 | Oxygenated hydrocarbons |
| Deep Smiles | CCCCl)C)C |
| Heavy Atom Count | 6.0 |
| Classyfire Class | Organochlorides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 39.2 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-chloro-2-methylbutane |
| Veber Rule | True |
| Classyfire Superclass | Organohalogen compounds |
| Xlogp | 2.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H11Cl |
| Inchi Key | CRNIHJHMEQZAAS-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | butane,2-chloro-2-methyl-. |
| Esol Class | Soluble |
| Functional Groups | CCl |
| Compound Name | Butane, 2-chloro-2-methyl- |
| Exact Mass | 106.055 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 106.055 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 106.59 |
| 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/C5H11Cl/c1-4-5(2,3)6/h4H2,1-3H3 |
| Smiles | CCC(C)(C)Cl |
| 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 Tagetes Minuta (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2013.793975