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Molecule
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 Mass
- 114.14 g/mol
Identifiers
CAS Registry Number
24980-41-4
SMILES
O=C1CCCCCO1
InChI Key
PAPBSGBWRJIAAV-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2
Names and Synonyms
- Polycaprolactone Common Name
- 2-Oxepanone, homopolymer Synonym
- 2-Oxepanone, polyesters Synonym
- Poly(ε-caprolactone) Synonym
- ε-Caprolactone polyester Synonym
- Caprolactone polymer Synonym
- ε-Caprolactone polymer Synonym
- ε-Caprolactone polymers Synonym
- Caprolactone oligomer Synonym
- Caprolactone homopolymer Synonym
- ε-Caprolactone homopolymer Synonym
- Poly(ε-caprolactone), monomer-based Synonym
- Polycaprolactone Synonym
- 6-Hexanolide homopolymer Synonym
- Poly-carprolactone Synonym
- Poly(ε-caprolactone) diol Synonym
- Purasorb PC 17 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 114.14 g/mol | CAS Common Chemistry |
| 114.144 g/mol | RDKit | |
| Density | 1.20 g/cm³ | CAS Common Chemistry |
| 1.2 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Polycaprolactone | CAS Common Chemistry |
| Canonical SMILES | O=C1OCCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=PAPBSGBWRJIAAV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 50-100 °C | CAS Common Chemistry |
| Name | Polycaprolactone | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 1.1036000000000001 | RDKit |
| 1.1036 | RDKit | |
| Molar Refractivity | 29.426999999999985 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8333 | RDKit |
| 0.83 | chempirical lib | |
| Exact Mass | 114.06807956 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
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Quick conversion
MW = 114.14 g/mol; density = 1.200 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H10O2.
