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2-Pentene
CAS: 109-68-2 | C5H10
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
109-68-2
Molecular Formula:
C5H10
Molecular Mass:
70.14 g/mol
Names and Synonyms:
2-Pentene
NSC 7894
β-Amylene
2-Pentene
β-n-Amylene
sym-Methylethylethylene
1-Methyl-2-ethylethylene
3-Pentene
Identifiers:
SMILES:
CC=CCC
InChI:
InChI=1S/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3
Key Properties
Boiling Point
37 °C
CAS Common Chemistry
Melting Point
-147 °C
CAS Common Chemistry
Density
0.66 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 70.14 g/mol | CAS Common Chemistry |
| 70.135 g/mol | RDKit | |
| 70.07825032 g/mol | RDKit | |
| Density | 0.66 g/cm³ | CAS Common Chemistry |
| 0.6595 g/cm3 @ Temp: 11 °C | CAS Common Chemistry | |
| Boiling Point | 37 °C | CAS Common Chemistry |
| Canonical SMILES | C(=CCC)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QMMOXUPEWRXHJS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -147 °C | CAS Common Chemistry |
| Name | 2-Pentene | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.9725 | RDKit |
| Molar Refractivity | 25.10499999999999 | RDKit |
