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Molecule
1,2-Epoxy-9-Decene
CAS: 85721-25-1 · C10H18O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 85721-25-1
- Molecular Formula
- C10H18O
- Molecular Mass
- 154.25 g/mol
Identifiers
CAS Registry Number
85721-25-1
SMILES
C=CCCCCCCC1CO1
InChI Key
FCZHJHKCOZGQJZ-UHFFFAOYSA-N
InChI
InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-10-9-11-10/h2,10H,1,3-9H2
Names and Synonyms
- 1,2-Epoxy-9-Decene Systematic Name
- Oxirane, 2-(7-octen-1-yl)- Synonym
- Oxirane, (7-octenyl)- Synonym
- 2-(7-Octen-1-yl)oxirane Synonym
- 1,2-Epoxy-9-decene Synonym
- 9,10-Epoxy-1-decene Synonym
- (7-Octenyl)oxirane Synonym
- 2-Oct-7-enyl-oxirane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 154.25 g/mol | CAS Common Chemistry |
| 154.253 g/mol | RDKit | |
| Canonical SMILES | O1CC1CCCCCCC=C | CAS Common Chemistry |
| InChI | InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-10-9-11-10/h2,10H,1,3-9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=FCZHJHKCOZGQJZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,2-Epoxy-9-decene | 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 | 12.53 Ų | RDKit |
| LogP | 2.9118000000000013 | RDKit |
| 2.9118 | RDKit | |
| Molar Refractivity | 47.639000000000024 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | 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.
