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2-Cyclopropylethanol
CAS: 2566-44-1 | C5H10O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2566-44-1
Molecular Formula:
C5H10O
Molecular Weight:
86.13400000000001 g/mol
Names and Synonyms:
2-Cyclopropylethanol
Synonym
Cyclopropaneethanol
Synonym
2-Cyclopropylethanol
Synonym
(2-Hydroxyethyl)cyclopropane
Synonym
NSC 250975
Synonym
2-Cyclopropylethan-1-ol
Synonym
Identifiers:
SMILES:
OCCC1CC1
InChI:
InChI=1S/C5H10O/c6-4-3-5-1-2-5/h5-6H,1-4H2
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 | 86.13 g/mol | Legacy Database |
| cas-boiling-point | 135 °C None | Legacy Database |
| cas-canonical-smile | OCCC1CC1 None | Legacy Database |
| cas-inchi | InChI=1S/C5H10O/c6-4-3-5-1-2-5/h5-6H,1-4H2 None | Legacy Database |
| cas-inchi-key | InChIKey=LUNMJRJMSXZSLC-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 2-Cyclopropylethanol None | Legacy Database |
| LogP | 0.7787999999999999 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 86.13400000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 86.07316494 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 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 | 24.42679999999999 | RDKit |