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1,2-Epoxy-9-Decene
CAS: 85721-25-1 | C10H18O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
85721-25-1
Molecular Formula:
C10H18O
Molecular Weight:
154.253 g/mol
Names and Synonyms:
1,2-Epoxy-9-Decene
2-Oct-7-enyl-oxirane
(7-Octenyl)oxirane
9,10-Epoxy-1-decene
1,2-Epoxy-9-decene
2-(7-Octen-1-yl)oxirane
Oxirane, (7-octenyl)-
Oxirane, 2-(7-octen-1-yl)-
Identifiers:
SMILES:
C=CCCCCCCC1CO1
InChI:
InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-10-9-11-10/h2,10H,1,3-9H2
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 |
|---|---|---|---|
| Physical Properties | molecular_mass | 154.25 g/mol | Legacy Database |
| cas-canonical-smile | O1CC1CCCCCCC=C | Legacy Database | |
| cas-inchi | InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-10-9-11-10/h2,10H,1,3-9H2 | Legacy Database | |
| cas-inchi-key | InChIKey=FCZHJHKCOZGQJZ-UHFFFAOYSA-N | Legacy Database | |
| cas-name | 1,2-Epoxy-9-decene | Legacy Database | |
| LogP | 2.9118000000000013 | RDKit | |
| 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 | 7 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 12.53 Ų | RDKit |
| Molar | Molar Refractivity | 47.639000000000024 | RDKit |
