Pentane
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CAS Number 109-66-0
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Catalog Number io-2817
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Classification Hydrocarbons
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Molecular Weight 72.1500
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SMILES CCCCC
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Pentane is a straight chain alkane consisting of 5 carbon atoms. It has a role as a non-polar solvent and a refrigerant. It is a volatile organic compound and an alkane.
| 1 | PENTANE |
| 2 | n-Pentane |
| 3 | Pentan |
| 4 | Skellysolve A |
| 5 | Pentanen |
| Molecular Formula | C5H12 |
|---|---|
| Canonical SMILES | CCCCC |
| Isomeric SMILES | CCCCC |
| Molecular Weight | 72.1500 |
| InChIKey | OFBQJSOFQDEBGM-UHFFFAOYSA-N |
| InChI | InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3 |
| XLogP | 3.4000 |
| ExactMass | 72.0939 |
| MonoisotopicMass | 72.0939 |
| TPSA | 0.0000 |
| Complexity | 7.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 0 |
| RotatableBondCount | 2 |
| HeavyAtomCount | 5 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 113849 |
| PatentFamilyCount | 50125 |
| LiteratureCount | 20445 |
