Propane, 2-methyl
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CAS Number 75-28-5
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Catalog Number io-2912
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Classification Hydrocarbons
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Molecular Weight 58.1200
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SMILES CC(C)C
| Size | QTY | Notes | |
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Isobutane is an alkane that is propane substituted by a methyl group at position 2. It has a role as a food propellant and a refrigerant. It is an alkane and a gas molecular entity.
| 1 | ISOBUTANE |
| 2 | 2-Methylpropane |
| 3 | Trimethylmethane |
| 4 | Propane, 2-methyl- |
| 5 | 1,1-Dimethylethane |
| Molecular Formula | C4H10 |
|---|---|
| Canonical SMILES | CC(C)C |
| Isomeric SMILES | CC(C)C |
| Molecular Weight | 58.1200 |
| InChIKey | NNPPMTNAJDCUHE-UHFFFAOYSA-N |
| InChI | InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3 |
| XLogP | 2.1000 |
| ExactMass | 58.0783 |
| MonoisotopicMass | 58.0783 |
| TPSA | 0.0000 |
| Complexity | 4.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 0 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 4 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 75908 |
| PatentFamilyCount | 39475 |
| LiteratureCount | 8594 |
