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Cis-Cyclooctene
CAS: 931-87-3 | C8H14
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
931-87-3
Molecular Formula:
C8H14
Molecular Weight:
110.2 g/mol
Names and Synonyms:
Cis-Cyclooctene
Cyclooctene, (1Z)-
Cyclooctene, (Z)-
(1Z)-Cyclooctene
cis-Cyclooctene
(Z)-Cyclooctene
Identifiers:
SMILES:
C1=CCCCCCC/1
InChI:
InChI=1S/C8H14/c1-2-4-6-8-7-5-3-1/h1-2H,3-8H2/b2-1-
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 110.2 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 110.109550448 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 2.8968000000000016 | RDKit |
| molecular_mass | 110.20 g/mol | Legacy Database |
| density | 0.84 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Cis-Cyclooctene None | Legacy Database |
| cas-boiling-point | 138 °C None | Legacy Database |
| cas-canonical-smile | C1=CCCCCCC1 None | Legacy Database |
| cas-density | 0.8448 g/cm3 @ Temp: 25 °C None | Legacy Database |
| cas-inchi | InChI=1S/C8H14/c1-2-4-6-8-7-5-3-1/h1-2H,3-8H2/b2-1- None | Legacy Database |
| cas-inchi-key | InChIKey=URYYVOIYTNXXBN-UPHRSURJSA-N None | Legacy Database |
| cas-melting-point | -12 °C None | Legacy Database |
| cas-name | cis-Cyclooctene None | Legacy Database |
| wikipedia-name | cis-Cyclooctene None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 36.842 | RDKit |
