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Molecule
Cyclopentadecanone
CAS: 502-72-7 · C15H28O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 502-72-7
- Molecular Formula
- C15H28O
- Molecular Mass
- 224.39 g/mol
Identifiers
CAS Registry Number
502-72-7
SMILES
O=C1CCCCCCCCCCCCCC1
InChI Key
OSOIQJGOYGSIMF-UHFFFAOYSA-N
InChI
InChI=1S/C15H28O/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-15/h1-14H2
Names and Synonyms
- Cyclopentadecanone Synonym
- Cyclopentadecanone Synonym
- Normuscone Synonym
- Exaltone Synonym
- Normuscon Synonym
- NSC 63900 Synonym
- CPE 218 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 224.39 g/mol | CAS Common Chemistry |
| 224.38799999999992 g/mol | RDKit | |
| 224.388 g/mol | RDKit | |
| Density | 0.90 g/cm³ | CAS Common Chemistry |
| 0.8973 g/cm3 @ 66 °C | CAS Common Chemistry | |
| Boiling Point | 120 °C | CAS Common Chemistry |
| Canonical SMILES | O=C1CCCCCCCCCCCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C15H28O/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-15/h1-14H2 | CAS Common Chemistry |
| InChI Key | InChIKey=OSOIQJGOYGSIMF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 63 °C | CAS Common Chemistry |
| Name | Cyclopentadecanone | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 5.030500000000004 | RDKit |
| 5.0305 | RDKit | |
| 5.26 | chempirical lib | |
| Molar Refractivity | 69.64500000000005 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9333 | RDKit |
| 0.93 | chempirical lib | |
| Exact Mass | 224.214015516 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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
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MW = 224.39 g/mol; density = 0.900 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H28O.
