Butane
PubChem CID: 94630
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| Compound Synonyms | EINECS 269-792-5, EC 269-792-5 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | WDQCHCWLIPRZMX-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| Synonyms | Alkanes (C4-C12), Alkanes, C4-12, Alkanesulfonate, C4-12 Alkanes |
| Heavy Atom Count | 5.0 |
| Compound Name | Butane, methane |
| Kingdom | Organic compounds |
| Description | Alkanes is a member of the class of compounds known as saturated hydrocarbons. Saturated hydrocarbons are hydrocarbons that contains only saturated carbon atoms, which are linked to one another through single bonds. These includes alkanes and cycloalkanes. Alkanes can be found in black elderberry, which makes alkanes a potential biomarker for the consumption of this food product. In organic chemistry, an alkane, or paraffin (a historical name that also has other meanings), is an acyclic saturated hydrocarbon. In other words, an alkane consists of hydrogen and carbon atoms arranged in a tree structure in which all the carbon-carbon bonds are single. Alkanes have the general chemical formula CnH2n+2. The alkanes range in complexity from the simplest case of methane, CH4 where n = 1 (sometimes called the parent molecule), to arbitrarily large molecules . |
| Exact Mass | 74.1096 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 74.1096 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 2.0 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 74.16 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Covalent Unit Count | 2.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | butane, methane |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Class | Saturated hydrocarbons |
| Inchi | InChI=1S/C4H10.CH4/c1-3-4-2, /h3-4H2,1-2H3, 1H4 |
| Smiles | C.CCCC |
| Superclass | Hydrocarbons |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Saturated hydrocarbons |
| Molecular Formula | C5H14 |
- 1. Outgoing r'ship
FOUND_INto/from Sambucus Nigra (Plant) Rel Props:Source_db:fooddb_chem_all