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Molecule
Cis-7-Decenal
CAS: 21661-97-2 · C10H18O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 21661-97-2
- Molecular Formula
- C10H18O
- Molecular Mass
- 154.25 g/mol
Identifiers
CAS Registry Number
21661-97-2
SMILES
CC/C=CCCCCCC=O
InChI Key
UZFFFFWQKMPLAC-ARJAWSKDSA-N
InChI
InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h3-4,10H,2,5-9H2,1H3/b4-3-
Names and Synonyms
- Cis-7-Decenal Synonym
- 7-Decenal, (7Z)- Synonym
- 7-Decenal, (Z)- Synonym
- (7Z)-7-Decenal Synonym
- cis-7-Decenal Synonym
- (Z)-7-Decenal Synonym
- (cis)-7-Decen-1-al Synonym
- (7Z)-Dec-7-enal Synonym
- (Z)-Dec-7-enal Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 154.25 g/mol | CAS Common Chemistry |
| 154.25300000000001 g/mol | RDKit | |
| 154.253 g/mol | RDKit | |
| Canonical SMILES | O=CCCCCCC=CCC | CAS Common Chemistry |
| InChI | InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h3-4,10H,2,5-9H2,1H3/b4-3- | CAS Common Chemistry |
| InChI Key | InChIKey=UZFFFFWQKMPLAC-ARJAWSKDSA-N | CAS Common Chemistry |
| Name | cis-7-Decenal | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 3.102000000000001 | RDKit |
| 3.102 | RDKit | |
| 3.2 | chempirical lib | |
| Molar Refractivity | 48.580000000000034 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7 | RDKit |
| Exact Mass | 154.135765196 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 154.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H18O.
