Isopentane
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CAS Number 78-78-4
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Catalog Number io-2537
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Classification Hydrocarbons
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Molecular Weight 72.1500
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SMILES CCC(C)C
| Size | QTY | Notes | |
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Isopentane is an alkane that is butane substituted by a methyl group at position 2. It has a role as a refrigerant.
| 1 | ISOPENTANE |
| 2 | 2-Methylbutane |
| 3 | Isoamylhydride |
| 4 | Butane, 2-methyl- |
| 5 | iso-Pentane |
| Molecular Formula | C5H12 |
|---|---|
| Canonical SMILES | CCC(C)C |
| Isomeric SMILES | CCC(C)C |
| Molecular Weight | 72.1500 |
| InChIKey | QWTDNUCVQCZILF-UHFFFAOYSA-N |
| InChI | InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3 |
| XLogP | 2.6000 |
| ExactMass | 72.0939 |
| MonoisotopicMass | 72.0939 |
| TPSA | 0.0000 |
| Complexity | 14.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 0 |
| RotatableBondCount | 1 |
| HeavyAtomCount | 5 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 114812 |
| PatentFamilyCount | 50615 |
| LiteratureCount | 10646 |
