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Cis-3-Hexen-1-Ol
CAS: 928-96-1 | C6H12O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
928-96-1
Molecular Formula:
C6H12O
Molecular Weight:
100.161 g/mol
Names and Synonyms:
Cis-3-Hexen-1-Ol
3-Hexen-1-ol, (3Z)-
3-Hexen-1-ol, (Z)-
3-Hexen-1-ol, cis-
(3Z)-3-Hexen-1-ol
Blaetteralkohol
Leaf alcohol
cis-3-Hexenol
(Z)-3-Hexenol
(Z)-Hex-3-en-1-ol
ENT 25091
cis-3-Hexen-1-ol
cis-3-Hexene-1-ol
cis-3-Hexenyl alcohol
Folic alcohol
3Z-Hexen-1-ol
3Z-Hexen-1-ol
Green leaf alcohol
(3Z)-Hexenol
(Z)-3-Hexen-1-ol
cis-1-Hydroxy-3-hexene
Identifiers:
SMILES:
CC/C=CCCO
InChI:
InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3-
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 100.161 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 100.088815004 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 20.23 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.335 | RDKit |
| molecular_mass | 100.16 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Cis-3-Hexen-1-ol None | Legacy Database |
| cas-boiling-point | 156.5 °C None | Legacy Database |
| cas-canonical-smile | OCCC=CCC None | Legacy Database |
| cas-inchi | InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3- None | Legacy Database |
| cas-inchi-key | InChIKey=UFLHIIWVXFIJGU-ARJAWSKDSA-N None | Legacy Database |
| cas-melting-point | 91 °C None | Legacy Database |
| cas-name | cis-3-Hexen-1-ol None | Legacy Database |
| wikipedia-name | cis-3-Hexen-1-ol None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 31.133799999999983 | RDKit |
