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Decanophenone
CAS: 6048-82-4 | C16H24O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6048-82-4
Molecular Formula:
C16H24O
Molecular Mass:
232.37 g/mol
Names and Synonyms:
Decanophenone
1-Decanone, 1-phenyl-
Decanophenone
1-Phenyl-1-decanone
Capriphenone
Nonyl phenyl ketone
NSC 22014
Identifiers:
SMILES:
CCCCCCCCCC(=O)c1ccccc1
InChI:
InChI=1S/C16H24O/c1-2-3-4-5-6-7-11-14-16(17)15-12-9-8-10-13-15/h8-10,12-13H,2-7,11,14H2,1H3
Key Properties
Boiling Point
142-146 °C @ Press: 2 Torr
CAS Common Chemistry
Melting Point
33.0-33.5 °C
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 | 232.37 g/mol | CAS Common Chemistry |
| 232.36700000000002 g/mol | RDKit | |
| 232.182715388 g/mol | RDKit | |
| Boiling Point | 142-146 °C @ Press: 2 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(C=1C=CC=CC1)CCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C16H24O/c1-2-3-4-5-6-7-11-14-16(17)15-12-9-8-10-13-15/h8-10,12-13H,2-7,11,14H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QQXJNLYVPPBERR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 33.0-33.5 °C | CAS Common Chemistry |
| Name | Decanophenone | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 5.010000000000005 | RDKit |
| Molar Refractivity | 73.38250000000005 | RDKit |
