Back to Search
Molecule
Isobutylene Oxide
CAS: 558-30-5 · C4H8O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 558-30-5
- Molecular Formula
- C4H8O
- Molecular Mass
- 72.11 g/mol
Identifiers
CAS Registry Number
558-30-5
SMILES
CC1(C)CO1
InChI Key
GELKGHVAFRCJNA-UHFFFAOYSA-N
InChI
InChI=1S/C4H8O/c1-4(2)3-5-4/h3H2,1-2H3
Names and Synonyms
- Isobutylene Oxide Synonym
- Oxirane, 2,2-dimethyl- Synonym
- Propane, 1,2-epoxy-2-methyl- Synonym
- Ethylene oxide, α,α-dimethyl- Synonym
- 2,2-Dimethyloxirane Synonym
- Isobutylene oxide Synonym
- Isobutylene epoxide Synonym
- 1,1-Dimethylethylene oxide Synonym
- 2-Methyl-1-propene oxide Synonym
- 2-Methyl-1,2-epoxypropane Synonym
- Isobutene oxide Synonym
- 1,2-Isobutylene oxide Synonym
- 1,2-Epoxy-2-methylpropane Synonym
- 1,2-Epoxyisobutane Synonym
- 2-Methylpropylene oxide Synonym
- NSC 24249 Synonym
- 2-Methyl-1-propenoxide Synonym
- 2-Methyl-2,3-epoxypropane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 72.11 g/mol | CAS Common Chemistry |
| 72.107 g/mol | RDKit | |
| Density | 0.82 g/cm³ | CAS Common Chemistry |
| 0.8153 g/cm3 @ 15 °C | CAS Common Chemistry | |
| Boiling Point | 52 °C | CAS Common Chemistry |
| Canonical SMILES | O1CC1(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H8O/c1-4(2)3-5-4/h3H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GELKGHVAFRCJNA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Isobutylene oxide | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.53 Ų | RDKit |
| LogP | 0.7952 | RDKit |
| Molar Refractivity | 20.030999999999995 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 72.057514876 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
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
Convert
Quick conversion
MW = 72.11 g/mol; density = 0.820 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H8O.
