Propane, 2,2-dimethyl-
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CAS Number 463-82-1
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Catalog Number io-2911
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Classification Hydrocarbons
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Molecular Weight 72.1500
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SMILES CC(C)(C)C
| Size | QTY | Notes | |
|---|---|---|---|
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Neopentane is an alkane.
| 1 | NEOPENTANE |
| 2 | 2,2-Dimethylpropane |
| 3 | Tetramethylmethane |
| 4 | Propane, 2,2-dimethyl- |
| 5 | tert-Pentane |
| Molecular Formula | C5H12 |
|---|---|
| Canonical SMILES | CC(C)(C)C |
| Isomeric SMILES | CC(C)(C)C |
| Molecular Weight | 72.1500 |
| InChIKey | CRSOQBOWXPBRES-UHFFFAOYSA-N |
| InChI | InChI=1S/C5H12/c1-5(2,3)4/h1-4H3 |
| XLogP | 2.5000 |
| ExactMass | 72.0939 |
| MonoisotopicMass | 72.0939 |
| TPSA | 0.0000 |
| Complexity | 15.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 0 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 5 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 58322 |
| PatentFamilyCount | 25434 |
| LiteratureCount | 1499 |
