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Molecule
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
Identifiers
CAS Registry Number
58846-77-8
SMILES
CCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI Key
JDRSMPFHFNXQRB-IBEHDNSVSA-N
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
Names and Synonyms
- Decyl Glucoside Common Name
- β-D-Glucopyranoside, decyl Synonym
- Decyl β-D-glucopyranoside Synonym
- Decyl β-glucopyranoside Synonym
- Decyl β-D-glucoside Synonym
- n-Decyl β-D-glucopyranoside Synonym
- Decyl glucoside Synonym
- Decyl β-glucoside Synonym
- AG 10 (carbohydrate) Synonym
- AG 10 Synonym
- Plantacare 818 Synonym
- 1-O-Decyl-β-D-glucopyranoside Synonym
- n-Decyl-β-glucoside Synonym
- Oramix NS 10 Synonym
- Plantaren PS 100 Synonym
- Plantaren W 2000 Synonym
- APG 10 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 320.43 g/mol | CAS Common Chemistry |
| 320.426 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 |
| 99.38 Ų | RDKit | |
| LogP | 0.9435999999999996 | RDKit |
| 0.9436 | RDKit | |
| Molar Refractivity | 82.32920000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 320.21988874399995 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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6
5
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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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MW = 320.43 g/mol. Edit any field — others recompute live.
