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Molecule
5-Hexyldihydro-5-Methyl-2(3H)-Furanone
CAS: 7011-83-8 · C11H20O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7011-83-8
- Molecular Formula
- C11H20O2
- Molecular Mass
- 184.28 g/mol
Identifiers
CAS Registry Number
7011-83-8
SMILES
CCCCCCC1(C)CCC(=O)O1
InChI Key
ALWUKGXLBSQSMA-UHFFFAOYSA-N
InChI
InChI=1S/C11H20O2/c1-3-4-5-6-8-11(2)9-7-10(12)13-11/h3-9H2,1-2H3
Names and Synonyms
- 5-Hexyldihydro-5-Methyl-2(3H)-Furanone Systematic Name
- 2(3H)-Furanone, 5-hexyldihydro-5-methyl- Synonym
- Decanoic acid, 4-hydroxy-4-methyl-, γ-lactone Synonym
- Capric acid, γ-hydroxy-γ-methyl-, lactone Synonym
- 5-Hexyldihydro-5-methyl-2(3H)-furanone Synonym
- 4-Methyldecanolide Synonym
- γ-Methyl-γ-decalactone Synonym
- γ-Methyl-γ-decanolactone Synonym
- 4-Methyl-4-decanolide Synonym
- NSC 141822 Synonym
- Lactojamon Synonym
- Lactojasmone Synonym
- 5-Hexyl-5-methyldihydrofuran-2(3H)-one 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 | |
| Density | 0.95 g/cm³ | CAS Common Chemistry |
| 0.950 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C1OC(C)(CC1)CCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C11H20O2/c1-3-4-5-6-8-11(2)9-7-10(12)13-11/h3-9H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ALWUKGXLBSQSMA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 5-Hexyldihydro-5-methyl-2(3H)-furanone | 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 | 120-125 °C @ 4-5 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 184.28 g/mol; density = 0.950 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H20O2.
