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1-(2-Propen-1-Yl)Cyclohexanol
CAS: 1123-34-8 | C9H16O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1123-34-8
Molecular Formula:
C9H16O
Molecular Weight:
140.22599999999997 g/mol
Names and Synonyms:
1-(2-Propen-1-Yl)Cyclohexanol
Cyclohexanol, 1-(2-propen-1-yl)-
Cyclohexanol, 1-allyl-
Cyclohexanol, 1-(2-propenyl)-
1-(2-Propen-1-yl)cyclohexanol
1-(1-Hydroxycyclohexyl)-2-propene
1-Allylcyclohexanol
1-Allyl-1-cyclohexanol
1-(Prop-2-en-1-yl)cyclohexan-1-ol
Identifiers:
SMILES:
C=CCC1(O)CCCCC1
InChI:
InChI=1S/C9H16O/c1-2-6-9(10)7-4-3-5-8-9/h2,10H,1,3-8H2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 140.23 g/mol | Legacy Database |
| cas-boiling-point | 62-64 °C @ Press: 3 Torr None | Legacy Database |
| cas-canonical-smile | OC1(CC=C)CCCCC1 None | Legacy Database |
| cas-inchi | InChI=1S/C9H16O/c1-2-6-9(10)7-4-3-5-8-9/h2,10H,1,3-8H2 None | Legacy Database |
| cas-inchi-key | InChIKey=ZSLKGUQYEQVKQE-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 1-(2-Propen-1-yl)cyclohexanol None | Legacy Database |
| LogP | 2.2577 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 140.22599999999997 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 140.120115132 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 20.23 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 42.84880000000002 | RDKit |
