Back to Search
Molecule
2-Methylnonane
CAS: 871-83-0 · C10H22
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 871-83-0
- Molecular Formula
- C10H22
- Molecular Mass
- 142.29 g/mol
Identifiers
CAS Registry Number
871-83-0
SMILES
CCCCCCCC(C)C
InChI Key
SGVYKUFIHHTIFL-UHFFFAOYSA-N
InChI
InChI=1S/C10H22/c1-4-5-6-7-8-9-10(2)3/h10H,4-9H2,1-3H3
Names and Synonyms
- 2-Methylnonane Systematic Name
- Nonane, 2-methyl- Synonym
- 2-Methylnonane Synonym
- NSC 24849 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 142.29 g/mol | CAS Common Chemistry |
| 142.286 g/mol | RDKit | |
| Density | 0.73 g/cm³ | CAS Common Chemistry |
| 0.72805 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 167.1 °C | CAS Common Chemistry |
| Canonical SMILES | CCCCCCCC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H22/c1-4-5-6-7-8-9-10(2)3/h10H,4-9H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SGVYKUFIHHTIFL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -74.6 °C | CAS Common Chemistry |
| Name | 2-Methylnonane | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.002900000000003 | RDKit |
| 4.0029 | RDKit | |
| 4.15 | chempirical lib | |
| Molar Refractivity | 48.21400000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 142.172150704 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 142.29 g/mol; density = 0.730 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H22.
