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(E)-4-Hexen-1-Ol
CAS: 928-92-7 | C6H12O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
928-92-7
Molecular Formula:
C6H12O
Names and Synonyms:
(E)-4-Hexen-1-Ol
4-Hexen-1-ol, (4E)-
4-Hexen-1-ol, (E)-
(4E)-4-Hexen-1-ol
trans-4-Hexen-1-ol
trans-4-Hexenol
(E)-4-Hexen-1-ol
(E)-4-Hexen-1-ol
Identifiers:
SMILES:
C/C=C/CCCO
InChI:
InChI=1S/C6H12O/c1-2-3-4-5-6-7/h2-3,7H,4-6H2,1H3/b3-2+
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 |
|---|---|---|
| Physical Properties | 100.16 g/mol | Legacy Database |
| 159 °C | Legacy Database | |
| OCCCC=CC | Legacy Database | |
| InChI=1S/C6H12O/c1-2-3-4-5-6-7/h2-3,7H,4-6H2,1H3/b3-2+ | Legacy Database | |
| InChIKey=VTIODUHBZHNXFP-NSCUHMNNSA-N | Legacy Database | |
| (E)-4-Hexen-1-ol | Legacy Database | |
| 1.335 | RDKit | |
| Molecular | 100.161 g/mol | RDKit |
| Exact | 100.088815004 g/mol | RDKit |
| Heavy | 7 count | RDKit |
| Hydrogen | 1 count | RDKit |
| 1 count | RDKit | |
| Rotatable | 3 count | RDKit |
| Aromatic | 0 count | RDKit |
| Topological | 20.23 Ų | RDKit |
| Molar | 31.133799999999983 | RDKit |
