Back to Search
Molecule
Δ-Undecalactone
CAS: 710-04-3 · C11H20O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 710-04-3
- Molecular Formula
- C11H20O2
- Molecular Mass
- 184.28 g/mol
Identifiers
CAS Registry Number
710-04-3
SMILES
CCCCCCC1CCCC(=O)O1
InChI Key
YZRXRLLRSPQHDK-UHFFFAOYSA-N
InChI
InChI=1S/C11H20O2/c1-2-3-4-5-7-10-8-6-9-11(12)13-10/h10H,2-9H2,1H3
Names and Synonyms
- Δ-Undecalactone Synonym
- 2H-Pyran-2-one, 6-hexyltetrahydro- Synonym
- Undecanoic acid, 5-hydroxy-, δ-lactone Synonym
- Hendecanoic acid, 5-hydroxy-, lactone Synonym
- 6-Hexyltetrahydro-2H-pyran-2-one Synonym
- δ-Hexylvalerolactone Synonym
- Δ-Hexyl-Δ-valerolactone Synonym
- 5-Hydroxyundecanoic acid lactone Synonym
- δ-Undecalactone Synonym
- 5-Undecanolide Synonym
- (±)-δ-Undecalactone Synonym
- (RS)-δ-Undecalactone Synonym
- δ-Undecanolactone Synonym
- 6-Hexyl-2H-tetrahydropyran-2-one Synonym
- Undecanoic-δ-lactone Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 184.28 g/mol | CAS Common Chemistry |
| 184.27899999999997 g/mol | RDKit | |
| 184.279 g/mol | RDKit | |
| Canonical SMILES | O=C1OC(CCC1)CCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C11H20O2/c1-2-3-4-5-7-10-8-6-9-11(12)13-10/h10H,2-9H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YZRXRLLRSPQHDK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | δ-Undecalactone | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 3.052500000000002 | RDKit |
| 3.0525 | RDKit | |
| Molar Refractivity | 52.490000000000045 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9091 | RDKit |
| 0.91 | chempirical lib | |
| Exact Mass | 184.14632988 g/mol | RDKit |
| Boiling Point | 145 °C @ 8 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 184.28 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H20O2.
