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Molecule
Pentylcyclohexane
CAS: 4292-92-6 · C11H22
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 4292-92-6
- Molecular Formula
- C11H22
- Molecular Mass
- 154.30 g/mol
Identifiers
CAS Registry Number
4292-92-6
SMILES
CCCCCC1CCCCC1
InChI Key
HLTMUYBTNSVOFY-UHFFFAOYSA-N
InChI
InChI=1S/C11H22/c1-2-3-5-8-11-9-6-4-7-10-11/h11H,2-10H2,1H3
Names and Synonyms
- Pentylcyclohexane Synonym
- Cyclohexane, pentyl- Synonym
- Pentylcyclohexane Synonym
- Pentane, 1-cyclohexyl- Synonym
- Amylcyclohexane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 154.30 g/mol | CAS Common Chemistry |
| 154.29699999999997 g/mol | RDKit | |
| 154.297 g/mol | RDKit | |
| Density | 0.80 g/cm³ | CAS Common Chemistry |
| 0.802 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 203.7 °C | CAS Common Chemistry |
| Canonical SMILES | CCCCCC1CCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C11H22/c1-2-3-5-8-11-9-6-4-7-10-11/h11H,2-10H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HLTMUYBTNSVOFY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -57.5 °C | CAS Common Chemistry |
| Name | Pentylcyclohexane | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.147000000000004 | RDKit |
| 4.147 | RDKit | |
| 4.29 | chempirical lib | |
| Molar Refractivity | 50.717000000000034 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 154.172150704 g/mol | RDKit |
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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Quick conversion
MW = 154.30 g/mol; density = 0.800 g/mL. Edit any field — others recompute live.
