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3-Decen-2-One
CAS: 10519-33-2 | C10H18O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10519-33-2
Molecular Formula:
C10H18O
Molecular Mass:
154.25 g/mol
Names and Synonyms:
3-Decen-2-One
3-Decen-2-one
Heptylidene acetone
Oenanthylidene acetone
SmartBlock
Identifiers:
SMILES:
CCCCCCC=CC(C)=O
InChI:
InChI=1S/C10H18O/c1-3-4-5-6-7-8-9-10(2)11/h8-9H,3-7H2,1-2H3
Key Properties
Boiling Point
125-126 °C @ Press: 12 Torr
CAS Common Chemistry
Melting Point
16-17 °C
CAS Common Chemistry
Density
0.85 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 | 154.25 g/mol | CAS Common Chemistry |
| 154.253 g/mol | RDKit | |
| 154.135765196 g/mol | RDKit | |
| Density | 0.85 g/cm³ | CAS Common Chemistry |
| 0.8473 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 125-126 °C @ Press: 12 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(C=CCCCCCC)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H18O/c1-3-4-5-6-7-8-9-10(2)11/h8-9H,3-7H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JRPDANVNRUIUAB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 16-17 °C | CAS Common Chemistry |
| Name | 3-Decen-2-one | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 3.102000000000001 | RDKit |
| Molar Refractivity | 48.58000000000003 | RDKit |
