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Polycaprolactone
CAS: 24980-41-4 | C6H10O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
24980-41-4
Molecular Formula:
C6H10O2
Molecular Weight:
114.144 g/mol
Names and Synonyms:
Polycaprolactone
Purasorb PC 17
Poly(ε-caprolactone) diol
Poly-carprolactone
6-Hexanolide homopolymer
Polycaprolactone
Poly(ε-caprolactone), monomer-based
ε-Caprolactone homopolymer
Caprolactone homopolymer
Caprolactone oligomer
ε-Caprolactone polymers
ε-Caprolactone polymer
Caprolactone polymer
ε-Caprolactone polyester
Poly(ε-caprolactone)
2-Oxepanone, polyesters
2-Oxepanone, homopolymer
Identifiers:
SMILES:
O=C1CCCCCO1
InChI:
InChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2
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 | 114.144 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 114.06807956 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 26.3 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.1036000000000001 | RDKit |
| cas-inchi-key | InChIKey=PAPBSGBWRJIAAV-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 50-100 °C None | Legacy Database |
| cas-name | Polycaprolactone None | Legacy Database |
| wikipedia-name | Polycaprolactone None | Legacy Database |
| molecular_mass | 114.14 g/mol | Legacy Database |
| density | 1.20 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Polycaprolactone None | Legacy Database |
| cas-canonical-smile | O=C1OCCCCC1 None | Legacy Database |
| cas-density | 1.2 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2 None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 29.426999999999985 | RDKit |
