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Cis-6-Nonen-1-Ol
CAS: 35854-86-5 | C9H18O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
35854-86-5
Molecular Formula:
C9H18O
Molecular Weight:
142.24200000000002 g/mol
Names and Synonyms:
Cis-6-Nonen-1-Ol
cis-6-Nonenol
(6Z)-Non-6-en-1-ol
(Z)-6-Nonen-1-ol
cis-6-Nonen-1-ol
(6Z)-6-Nonen-1-ol
6-Nonen-1-ol, (Z)-
6-Nonen-1-ol, (6Z)-
Identifiers:
SMILES:
CC/C=CCCCCCO
InChI:
InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h3-4,10H,2,5-9H2,1H3/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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 142.24 g/mol | Legacy Database |
| cas-boiling-point | 54-60 °C @ Press: 0.2 Torr None | Legacy Database |
| cas-canonical-smile | OCCCCCC=CCC None | Legacy Database |
| cas-inchi | InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h3-4,10H,2,5-9H2,1H3/b4-3- None | Legacy Database |
| cas-inchi-key | InChIKey=XJHRZBIBSSVCEL-ARJAWSKDSA-N None | Legacy Database |
| cas-name | cis-6-Nonen-1-ol None | Legacy Database |
| LogP | 2.5053000000000005 | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 44.984800000000014 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 142.24200000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 142.135765196 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 6 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 20.23 Ų | RDKit |
