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Trans-2-Nonen-1-Ol
CAS: 31502-14-4 | C9H18O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
31502-14-4
Molecular Formula:
C9H18O
Molecular Mass:
142.24 g/mol
Names and Synonyms:
Trans-2-Nonen-1-Ol
2-Nonen-1-ol, (2E)-
2-Nonen-1-ol, (E)-
(2E)-2-Nonen-1-ol
trans-2-Nonenol
trans-2-Nonen-1-ol
(E)-2-Nonenol
2-(E)-Nonenol
(E)-2-Nonen-1-ol
Identifiers:
SMILES:
CCCCCC/C=C/CO
InChI:
InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h7-8,10H,2-6,9H2,1H3/b8-7+
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 |
| 142.242 g/mol | RDKit | |
| 142.135765196 g/mol | RDKit | |
| Canonical SMILES | OCC=CCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h7-8,10H,2-6,9H2,1H3/b8-7+ | CAS Common Chemistry |
| InChI Key | InChIKey=NSSALFVIQPAIQK-BQYQJAHWSA-N | CAS Common Chemistry |
| Name | trans-2-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 | 2.5053000000000014 | RDKit |
| Molar Refractivity | 44.984800000000014 | RDKit |
