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Queen Bee Acid
CAS: 14113-05-4 | C10H18O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14113-05-4
Molecular Formula:
C10H18O3
Molecular Mass:
186.25 g/mol
Names and Synonyms:
Queen Bee Acid
2-Decenoic acid, 10-hydroxy-, (2E)-
2-Decenoic acid, 10-hydroxy-, (E)-
Royal jelly acid
2-Decenoic acid, 10-hydroxy-, trans-
(2E)-10-Hydroxy-2-decenoic acid
10-Hydroxy-trans-2-decenoic acid
trans-10-Hydroxy-2-decenoic acid
(E)-10-Hydroxy-2-decenoic acid
10-Hydroxy-2E-decenoic acid
NSC 87516
Biosil
Identifiers:
SMILES:
O=C(O)/C=C/CCCCCCCO
InChI:
InChI=1S/C10H18O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h6,8,11H,1-5,7,9H2,(H,12,13)/b8-6+
Key Properties
Melting Point
64-65 °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 | 186.25 g/mol | CAS Common Chemistry |
| 186.25099999999998 g/mol | RDKit | |
| 186.125594436 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Queen_bee_acid | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C=CCCCCCCCO | CAS Common Chemistry |
| InChI | InChI=1S/C10H18O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h6,8,11H,1-5,7,9H2,(H,12,13)/b8-6+ | CAS Common Chemistry |
| InChI Key | InChIKey=QHBZHVUGQROELI-SOFGYWHQSA-N | CAS Common Chemistry |
| Melting Point | 64-65 °C | CAS Common Chemistry |
| Name | trans-10-Hydroxy-2-decenoic acid | CAS Common Chemistry |
| Queen bee acid | CAS Common Chemistry | |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.53 Ų | RDKit |
| LogP | 1.9601000000000002 | RDKit |
| Molar Refractivity | 51.56360000000004 | RDKit |
