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Molecule
2-Pentyl-2-Cyclopenten-1-One
CAS: 25564-22-1 · C10H16O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 25564-22-1
- Molecular Formula
- C10H16O
- Molecular Mass
- 152.24 g/mol
Identifiers
CAS Registry Number
25564-22-1
SMILES
CCCCCC1=CCCC1=O
InChI Key
ILHZVKAXFCDFMT-UHFFFAOYSA-N
InChI
InChI=1S/C10H16O/c1-2-3-4-6-9-7-5-8-10(9)11/h7H,2-6,8H2,1H3
Names and Synonyms
- 2-Pentyl-2-Cyclopenten-1-One Synonym
- 2-Cyclopenten-1-one, 2-pentyl- Synonym
- 2-Cyclopenten-1-one, 2-amyl- Synonym
- 2-Pentyl-2-cyclopenten-1-one Synonym
- 2-Pentyl-2-cyclopentenone Synonym
- 2-Pentyl-1-cyclopenten-3-one Synonym
- 3-Oxo-2-pentyl-1-cyclopentene Synonym
- 2-(1-Pentyl)-2-cyclopenten-1-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 152.24 g/mol | CAS Common Chemistry |
| 152.237 g/mol | RDKit | |
| Density | 0.92 g/cm³ | CAS Common Chemistry |
| 0.921 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C1C(=CCC1)CCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C10H16O/c1-2-3-4-6-9-7-5-8-10(9)11/h7H,2-6,8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ILHZVKAXFCDFMT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Pentyl-2-cyclopenten-1-one | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 2.8560000000000008 | RDKit |
| 2.856 | RDKit | |
| 2.95 | chempirical lib | |
| Molar Refractivity | 46.46600000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7 | RDKit |
| Exact Mass | 152.120115132 g/mol | RDKit |
| Boiling Point | 108 °C @ 10 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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 = 152.24 g/mol; density = 0.920 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H16O.
