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Trans-2-Pentene
CAS: 646-04-8 | C5H10
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
646-04-8
Molecular Formula:
C5H10
Molecular Weight:
70.135 g/mol
Names and Synonyms:
Trans-2-Pentene
Synonym
2-Pentene, (2E)-
Synonym
2-Pentene, (E)-
Synonym
2-Pentene, trans-
Synonym
(2E)-2-Pentene
Synonym
trans-β-Amylene
Synonym
trans-2-Pentene
Synonym
(E)-2-Pentene
Synonym
2-trans-Pentene
Synonym
Identifiers:
SMILES:
C/C=C/CC
InChI:
InChI=1S/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3/b5-3+
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 70.135 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 70.07825032 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.9725 | RDKit |
| molecular_mass | 70.14 g/mol | Legacy Database |
| density | 0.64 g/cm³ | Legacy Database |
| cas-boiling-point | 36.3 °C None | Legacy Database |
| cas-canonical-smile | C(=CCC)C None | Legacy Database |
| cas-density | 0.6431 g/cm3 @ Temp: 25 °C None | Legacy Database |
| cas-inchi | InChI=1S/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3/b5-3+ None | Legacy Database |
| cas-inchi-key | InChIKey=QMMOXUPEWRXHJS-HWKANZROSA-N None | Legacy Database |
| cas-melting-point | -140.2 °C None | Legacy Database |
| cas-name | trans-2-Pentene None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 25.10499999999999 | RDKit |