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Molecule
2-Methyldecane
CAS: 6975-98-0 · C11H24
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 6975-98-0
- Molecular Formula
- C11H24
- Molecular Mass
- 156.31 g/mol
Identifiers
CAS Registry Number
6975-98-0
SMILES
CCCCCCCCC(C)C
InChI Key
CNPVJWYWYZMPDS-UHFFFAOYSA-N
InChI
InChI=1S/C11H24/c1-4-5-6-7-8-9-10-11(2)3/h11H,4-10H2,1-3H3
Names and Synonyms
- 2-Methyldecane Systematic Name
- Decane, 2-methyl- Synonym
- 2-Methyldecane Synonym
- NSC 20567 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 156.31 g/mol | CAS Common Chemistry |
| 156.313 g/mol | RDKit | |
| Boiling Point | 189.3 °C | CAS Common Chemistry |
| Canonical SMILES | CCCCCCCCC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C11H24/c1-4-5-6-7-8-9-10-11(2)3/h11H,4-10H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CNPVJWYWYZMPDS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -48.9 °C | CAS Common Chemistry |
| Name | 2-Methyldecane | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.393000000000004 | RDKit |
| 4.393 | RDKit | |
| 4.54 | chempirical lib | |
| Molar Refractivity | 52.83100000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 156.187800768 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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 = 156.31 g/mol. Edit any field — others recompute live.
