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5-Nonanol
CAS: 623-93-8 | C9H20O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
623-93-8
Molecular Formula:
C9H20O
Molecular Mass:
144.26 g/mol
Names and Synonyms:
5-Nonanol
5-Nonanol
Dibutylcarbinol
NSC 4552
Identifiers:
SMILES:
CCCCC(O)CCCC
InChI:
InChI=1S/C9H20O/c1-3-5-7-9(10)8-6-4-2/h9-10H,3-8H2,1-2H3
Key Properties
Boiling Point
193 °C
CAS Common Chemistry
Melting Point
51-52 °C
CAS Common Chemistry
Density
0.82 g/cm³
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 | 144.26 g/mol | CAS Common Chemistry |
| 144.25799999999998 g/mol | RDKit | |
| 144.15141526 g/mol | RDKit | |
| Density | 0.82 g/cm³ | CAS Common Chemistry |
| 0.823 g/cm3 @ Temp: 18 °C | CAS Common Chemistry | |
| Boiling Point | 193 °C | CAS Common Chemistry |
| Canonical SMILES | OC(CCCC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C9H20O/c1-3-5-7-9(10)8-6-4-2/h9-10H,3-8H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FCBBRODPXVPZAH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 51-52 °C | CAS Common Chemistry |
| Name | 5-Nonanol | 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 | 2.7277000000000013 | RDKit |
| Molar Refractivity | 45.05680000000002 | RDKit |
