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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 Mass:
140.23 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
Key Properties
Boiling Point
62-64 °C @ Press: 3 Torr
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 140.23 g/mol | CAS Common Chemistry |
| 140.22599999999997 g/mol | RDKit | |
| 140.120115132 g/mol | RDKit | |
| Boiling Point | 62-64 °C @ Press: 3 Torr | CAS Common Chemistry |
| Canonical SMILES | OC1(CC=C)CCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H16O/c1-2-6-9(10)7-4-3-5-8-9/h2,10H,1,3-8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=ZSLKGUQYEQVKQE-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-(2-Propen-1-yl)cyclohexanol | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 2.2577 | RDKit |
| Molar Refractivity | 42.84880000000002 | RDKit |
