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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 Mass:
142.24 g/mol
Names and Synonyms:
Cis-6-Nonen-1-Ol
6-Nonen-1-ol, (6Z)-
6-Nonen-1-ol, (Z)-
(6Z)-6-Nonen-1-ol
cis-6-Nonen-1-ol
(Z)-6-Nonen-1-ol
(6Z)-Non-6-en-1-ol
cis-6-Nonenol
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-
Key Properties
Boiling Point
54-60 °C @ Press: 0.2 Torr
CAS Common Chemistry
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 |
|---|---|---|
| Molecular Mass | 142.24 g/mol | CAS Common Chemistry |
| 142.24200000000002 g/mol | RDKit | |
| 142.135765196 g/mol | RDKit | |
| Boiling Point | 54-60 °C @ Press: 0.2 Torr | CAS Common Chemistry |
| Canonical SMILES | OCCCCCC=CCC | CAS Common Chemistry |
| InChI | InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h3-4,10H,2,5-9H2,1H3/b4-3- | CAS Common Chemistry |
| InChI Key | InChIKey=XJHRZBIBSSVCEL-ARJAWSKDSA-N | CAS Common Chemistry |
| Name | cis-6-Nonen-1-ol | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 2.5053000000000005 | RDKit |
| Molar Refractivity | 44.984800000000014 | RDKit |
