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1-Penten-3-Ol
CAS: 616-25-1 | C5H10O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
616-25-1
Molecular Formula:
C5H10O
Molecular Weight:
86.134 g/mol
Names and Synonyms:
1-Penten-3-Ol
1-Penten-3-ol
Ethyl vinyl carbinol
α-Ethylallyl alcohol
1-Ethylallyl alcohol
3-Hydroxy-1-pentene
(±)-1-Penten-3-ol
NSC 65446
Identifiers:
SMILES:
C=CC(O)CC
InChI:
InChI=1S/C5H10O/c1-3-5(6)4-2/h3,5-6H,1,4H2,2H3
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 |
|---|---|---|---|
| Molecular | Molecular Weight | 86.134 g/mol | RDKit |
| Exact | Exact Molecular Weight | 86.07316494 g/mol | RDKit |
| Heavy | Heavy Atom Count | 6 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit | |
| Rotatable | Rotatable Bonds | 2 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 20.23 Ų | RDKit |
| Physical Properties | LogP | 0.9433 | RDKit |
| molecular_mass | 86.13 g/mol | Legacy Database | |
| density | 0.84 g/cm³ | Legacy Database | |
| cas-boiling-point | 115 °C | Legacy Database | |
| cas-canonical-smile | OC(C=C)CC | Legacy Database | |
| cas-density | 0.839 g/cm3 @ Temp: 22 °C | Legacy Database | |
| cas-inchi | InChI=1S/C5H10O/c1-3-5(6)4-2/h3,5-6H,1,4H2,2H3 | Legacy Database | |
| cas-inchi-key | InChIKey=VHVMXWZXFBOANQ-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 155 °C | Legacy Database | |
| cas-name | 1-Penten-3-ol | Legacy Database | |
| Molar | Molar Refractivity | 26.494799999999987 | RDKit |
