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Octyl Α-D-Glucopyranoside
CAS: 29781-80-4 | C14H28O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
29781-80-4
Molecular Formula:
C14H28O6
Molecular Mass:
292.37 g/mol
Names and Synonyms:
Octyl Α-D-Glucopyranoside
α-D-Glucopyranoside, octyl
Glucopyranoside, octyl, α-D-
Octyl α-D-glucopyranoside
1-Octyl α-D-glucopyranoside
α-1-n-Octyl-D-glucopyranoside
n-Octyl α-D-glucopyranoside
1-O-Octyl-α-D-glucopyranoside
Octyl α-glucoside
Octyl α-D-glucoside
GS-AG 8S
Identifiers:
SMILES:
CCCCCCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI:
InChI=1S/C14H28O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14+/m1/s1
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 292.37 g/mol | CAS Common Chemistry |
| 292.372 g/mol | RDKit | |
| 292.188588616 g/mol | RDKit | |
| Canonical SMILES | OCC1OC(OCCCCCCCC)C(O)C(O)C1O | CAS Common Chemistry |
| InChI | InChI=1S/C14H28O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14+/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=HEGSGKPQLMEBJL-RGDJUOJXSA-N | CAS Common Chemistry |
| Name | Octyl α-D-glucopyranoside | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 99.38000000000001 Ų | RDKit |
| LogP | 0.16339999999999988 | RDKit |
| Molar Refractivity | 73.09520000000003 | RDKit |
