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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 Weight:
154.253 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
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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 154.253 g/mol | RDKit |
| Exact | Exact Molecular Weight | 154.135765196 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 6 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 17.07 Ų | RDKit |
| Physical Properties | LogP | 3.102000000000001 | RDKit |
| molecular_mass | 154.25 g/mol | Legacy Database | |
| density | 0.85 g/cm³ | Legacy Database | |
| cas-boiling-point | 125-126 °C @ Press: 12 Torr | Legacy Database | |
| cas-canonical-smile | O=C(C=CCCCCCC)C | Legacy Database | |
| cas-density | 0.8473 g/cm3 @ Temp: 20 °C | Legacy Database | |
| cas-inchi | InChI=1S/C10H18O/c1-3-4-5-6-7-8-9-10(2)11/h8-9H,3-7H2,1-2H3 | Legacy Database | |
| cas-inchi-key | InChIKey=JRPDANVNRUIUAB-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 16-17 °C | Legacy Database | |
| cas-name | 3-Decen-2-one | Legacy Database | |
| Molar | Molar Refractivity | 48.58000000000003 | RDKit |
