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Decyl Glucoside
CAS: 58846-77-8 | C16H32O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
58846-77-8
Molecular Formula:
C16H32O6
Molecular Mass:
320.43 g/mol
Names and Synonyms:
Decyl Glucoside
β-D-Glucopyranoside, decyl
Decyl β-D-glucopyranoside
Decyl β-glucopyranoside
Decyl β-D-glucoside
n-Decyl β-D-glucopyranoside
Decyl glucoside
Decyl β-glucoside
AG 10 (carbohydrate)
AG 10
Plantacare 818
1-O-Decyl-β-D-glucopyranoside
n-Decyl-β-glucoside
Oramix NS 10
Plantaren PS 100
Plantaren W 2000
APG 10
Identifiers:
SMILES:
CCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI:
InChI=1S/C16H32O6/c1-2-3-4-5-6-7-8-9-10-21-16-15(20)14(19)13(18)12(11-17)22-16/h12-20H,2-11H2,1H3/t12-,13-,14+,15-,16-/m1/s1
Key Properties
Melting Point
75-130 °C
CAS Common Chemistry
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 | 320.43 g/mol | CAS Common Chemistry |
| 320.426 g/mol | RDKit | |
| 320.21988874399995 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Decyl_glucoside | CAS Common Chemistry |
| Canonical SMILES | OCC1OC(OCCCCCCCCCC)C(O)C(O)C1O | CAS Common Chemistry |
| InChI | InChI=1S/C16H32O6/c1-2-3-4-5-6-7-8-9-10-21-16-15(20)14(19)13(18)12(11-17)22-16/h12-20H,2-11H2,1H3/t12-,13-,14+,15-,16-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=JDRSMPFHFNXQRB-IBEHDNSVSA-N | CAS Common Chemistry |
| Melting Point | 75-130 °C | CAS Common Chemistry |
| Name | Decyl glucoside | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 99.38000000000001 Ų | RDKit |
| LogP | 0.9435999999999996 | RDKit |
| Molar Refractivity | 82.32920000000004 | RDKit |
