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Polyisoprene
CAS: 9003-31-0 | C5H8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
9003-31-0
Molecular Formula:
C5H8
Molecular Weight:
68.119 g/mol
Names and Synonyms:
Polyisoprene
Sepolex IR 100H
KL 10
2-Methyl-1,3-butadiene homopolymer
H 07-119-04
JSR-PIP 2
LIR 20000
Revultex Lan 960
LIR 15
TR 301
KM 4K1
JSR-LIR 20000
PIP
PIP (polyisoprene)
Poly(isopentadiene)
Poly(2-methylbutadiene)
Isoprene homopolymer
Poly(2-methyl-1,3-butadiene)
Isoprene oligomer
Isoprene D
Betaprene H
Isoprene polymer
Polyisoprene
Isoprene, polymers
1,3-Butadiene, 2-methyl-, homopolymer
Identifiers:
SMILES:
C=CC(=C)C
InChI:
InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 68.12 g/mol | Legacy Database |
| density | 0.96 g/cm³ | Legacy Database |
| cas-canonical-smile | C=CC(=C)C None | Legacy Database |
| cas-density | 0.96 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=RRHGJUQNOFWUDK-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 64 °C None | Legacy Database |
| cas-name | Polyisoprene None | Legacy Database |
| LogP | 1.7485 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 68.119 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 68.062600256 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 25.01099999999999 | RDKit |
