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Molecule
Isobutylene
CAS: 115-11-7 · C4H8
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 115-11-7
- Molecular Formula
- C4H8
- Molecular Mass
- 56.11 g/mol
Identifiers
CAS Registry Number
115-11-7
SMILES
C=C(C)C
InChI Key
VQTUBCCKSQIDNK-UHFFFAOYSA-N
InChI
InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3
Names and Synonyms
- Isobutylene Synonym
- 1-Propene, 2-methyl- Synonym
- Propene, 2-methyl- Synonym
- 2-Methyl-1-propene Synonym
- γ-Butylene Synonym
- Isobutene Synonym
- Isobutylene Synonym
- 2-Methylpropene Synonym
- iso-Butene Synonym
- Isopropylidenemethylene Synonym
- 1,1-Dimethylethylene Synonym
- 2-Methylpropylene Synonym
- 1,1-Dimethylethene Synonym
- i-Butene Synonym
- 2-Methyl-2-propene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 56.11 g/mol | CAS Common Chemistry |
| 56.10799999999999 g/mol | RDKit | |
| 56.108 g/mol | RDKit | |
| Density | 0.59 g/cm³ | CAS Common Chemistry |
| 0.589 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Isobutylene | CAS Common Chemistry |
| Boiling Point | -6.9 °C | CAS Common Chemistry |
| Canonical SMILES | C=C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VQTUBCCKSQIDNK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -140.4 °C | CAS Common Chemistry |
| Name | Isobutylene | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.5824 | RDKit |
| 1.45 | chempirical lib | |
| Molar Refractivity | 20.487999999999996 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 56.062600255999996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 56.11 g/mol; density = 0.590 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H8.
