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Molecule
1-Nonadecanol
CAS: 1454-84-8 · C19H40O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1454-84-8
- Molecular Formula
- C19H40O
- Molecular Mass
- 284.53 g/mol
Identifiers
CAS Registry Number
1454-84-8
SMILES
CCCCCCCCCCCCCCCCCCCO
InChI Key
XGFDHKJUZCCPKQ-UHFFFAOYSA-N
InChI
InChI=1S/C19H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h20H,2-19H2,1H3
Names and Synonyms
- 1-Nonadecanol Synonym
- 1-Nonadecanol Synonym
- n-1-Nonadecanol Synonym
- n-Nonadecanol Synonym
- Nonadecyl alcohol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 284.53 g/mol | CAS Common Chemistry |
| 284.5279999999999 g/mol | RDKit | |
| 284.528 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1-Nonadecanol | CAS Common Chemistry |
| Canonical SMILES | OCCCCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C19H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h20H,2-19H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XGFDHKJUZCCPKQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 63.3 °C | CAS Common Chemistry |
| Name | 1-Nonadecanol | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 17 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 6.630300000000008 | RDKit |
| 6.6303 | RDKit | |
| Molar Refractivity | 91.24880000000007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 284.3079159 g/mol | RDKit |
| Boiling Point | 204-217 °C @ 3 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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MW = 284.53 g/mol. Edit any field — others recompute live.
