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Molecule
Cis-4-Methyl-2-Pentene
CAS: 691-38-3 · C6H12
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 691-38-3
- Molecular Formula
- C6H12
- Molecular Mass
- 84.16 g/mol
Identifiers
CAS Registry Number
691-38-3
SMILES
C/C=CC(C)C
InChI Key
LGAQJENWWYGFSN-PLNGDYQASA-N
InChI
InChI=1S/C6H12/c1-4-5-6(2)3/h4-6H,1-3H3/b5-4-
Names and Synonyms
- Cis-4-Methyl-2-Pentene Common Name
- 2-Pentene, 4-methyl-, (2Z)- Synonym
- 2-Pentene, 4-methyl-, (Z)- Synonym
- 2-Pentene, 4-methyl-, cis- Synonym
- (2Z)-4-Methyl-2-pentene Synonym
- cis-4-Methyl-2-pentene Synonym
- (Z)-4-Methyl-2-pentene Synonym
- cis-2-Methyl-3-pentene Synonym
- cis-1-Isopropylpropene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 84.16 g/mol | CAS Common Chemistry |
| 84.162 g/mol | RDKit | |
| Density | 0.66 g/cm³ | CAS Common Chemistry |
| 0.663 g/cm3 @ 24 °C | CAS Common Chemistry | |
| Boiling Point | 56.3 °C | CAS Common Chemistry |
| Canonical SMILES | C(=CC(C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H12/c1-4-5-6(2)3/h4-6H,1-3H3/b5-4- | CAS Common Chemistry |
| InChI Key | InChIKey=LGAQJENWWYGFSN-PLNGDYQASA-N | CAS Common Chemistry |
| Melting Point | -134.8 °C | CAS Common Chemistry |
| Name | cis-4-Methyl-2-pentene | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.2184999999999997 | RDKit |
| 2.2185 | RDKit | |
| 2.23 | chempirical lib | |
| Molar Refractivity | 29.651999999999983 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 84.093900384 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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 = 84.16 g/mol; density = 0.660 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H12.
