Back to Search
Molecule
5-Bromo-1-Pentene
CAS: 1119-51-3 · C5H9Br
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1119-51-3
- Molecular Formula
- C5H9Br
- Molecular Mass
- 149.03 g/mol
Identifiers
CAS Registry Number
1119-51-3
SMILES
C=CCCCBr
InChI Key
LPNANKDXVBMDKE-UHFFFAOYSA-N
InChI
InChI=1S/C5H9Br/c1-2-3-4-5-6/h2H,1,3-5H2
Names and Synonyms
- 5-Bromo-1-Pentene Systematic Name
- 1-Pentene, 5-bromo- Synonym
- 5-Bromo-1-pentene Synonym
- 1-Bromo-4-pentene Synonym
- 4-Pentenyl bromide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 149.03 g/mol | CAS Common Chemistry |
| 149.031 g/mol | RDKit | |
| Density | 1.26 g/cm³ | CAS Common Chemistry |
| 1.2581 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 125.5 °C | CAS Common Chemistry |
| Canonical SMILES | BrCCCC=C | CAS Common Chemistry |
| InChI | InChI=1S/C5H9Br/c1-2-3-4-5-6/h2H,1,3-5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=LPNANKDXVBMDKE-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 5-Bromo-1-pentene | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.3475 | RDKit |
| Molar Refractivity | 33.224999999999994 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 147.988762388 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 = 149.03 g/mol; density = 1.260 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H9Br.
