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Cyclopentadecanone
CAS: 502-72-7 | C15H28O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
502-72-7
Molecular Formula:
C15H28O
Molecular Mass:
224.39 g/mol
Names and Synonyms:
Cyclopentadecanone
Cyclopentadecanone
Normuscone
Exaltone
Normuscon
NSC 63900
CPE 218
Identifiers:
SMILES:
O=C1CCCCCCCCCCCCCC1
InChI:
InChI=1S/C15H28O/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-15/h1-14H2
Key Properties
Boiling Point
120 °C
CAS Common Chemistry
Melting Point
63 °C
CAS Common Chemistry
Density
0.90 g/cm³
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 | 224.39 g/mol | CAS Common Chemistry |
| 224.38799999999992 g/mol | RDKit | |
| 224.214015516 g/mol | RDKit | |
| Density | 0.90 g/cm³ | CAS Common Chemistry |
| 0.8973 g/cm3 @ Temp: 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 |
| Molar Refractivity | 69.64500000000005 | RDKit |
