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Molecule
Poly(Oxy-1,4-Butanediyl), Α-[(4-Benzoylphenoxy)Acetyl]-Ω-[[2-(4-Benzoylphenoxy)Acetyl]Oxy]-
CAS: 515136-48-8 · C34H30O8
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 515136-48-8
- Molecular Formula
- C34H30O8
- Molecular Mass
- 566.61 g/mol
Identifiers
CAS Registry Number
515136-48-8
SMILES
O=C(COc1ccc(C(=O)c2ccccc2)cc1)OCCCCOC(=O)COc1ccc(C(=O)c2ccccc2)cc1
InChI Key
UCOGBVWDSGWCDD-UHFFFAOYSA-N
InChI
InChI=1S/C34H30O8/c35-31(23-41-29-17-13-27(14-18-29)33(37)25-9-3-1-4-10-25)39-21-7-8-22-40-32(36)24-42-30-19-15-28(16-20-30)34(38)26-11-5-2-6-12-26/h1-6,9-20H,7-8,21-24H2
Names and Synonyms
- Poly(Oxy-1,4-Butanediyl), Α-[(4-Benzoylphenoxy)Acetyl]-Ω-[[2-(4-Benzoylphenoxy)Acetyl]Oxy]- Systematic Name
- Poly(oxy-1,4-butanediyl), α-[(4-benzoylphenoxy)acetyl]-ω-[[2-(4-benzoylphenoxy)acetyl]oxy]- Synonym
- Poly(oxy-1,4-butanediyl), α-[(4-benzoylphenoxy)acetyl]-ω-[[(4-benzoylphenoxy)acetyl]oxy]- Synonym
- Omnipol BP Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 566.61 g/mol | CAS Common Chemistry |
| 566.6060000000004 g/mol | RDKit | |
| 566.606 g/mol | RDKit | |
| Canonical SMILES | O=C(OCCCCOC(=O)COC1=CC=C(C=C1)C(=O)C=2C=CC=CC2)COC3=CC=C(C=C3)C(=O)C=4C=CC=CC4 | CAS Common Chemistry |
| InChI | InChI=1S/C34H30O8/c35-31(23-41-29-17-13-27(14-18-29)33(37)25-9-3-1-4-10-25)39-21-7-8-22-40-32(36)24-42-30-19-15-28(16-20-30)34(38)26-11-5-2-6-12-26/h1-6,9-20H,7-8,21-24H2 | CAS Common Chemistry |
| InChI Key | InChIKey=UCOGBVWDSGWCDD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Poly(oxy-1,4-butanediyl), α-[(4-benzoylphenoxy)acetyl]-ω-[[2-(4-benzoylphenoxy)acetyl]oxy]- | CAS Common Chemistry |
| Heavy Atom Count | 42 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 15 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 105.20000000000002 Ų | RDKit |
| 105.2 Ų | RDKit | |
| LogP | 5.473000000000005 | RDKit |
| 5.473 | RDKit | |
| Molar Refractivity | 154.77499999999966 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1765 | RDKit |
| 0.18 | chempirical lib | |
| Exact Mass | 566.19406792 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
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MW = 566.61 g/mol. Edit any field — others recompute live.
