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Molecule
(Trans,Trans)-4-Ethenyl-4′-Pentyl-1,1′-Bicyclohexyl
CAS: 129738-34-7 · C19H34
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 129738-34-7
- Molecular Formula
- C19H34
- Molecular Mass
- 262.48 g/mol
Identifiers
CAS Registry Number
129738-34-7
SMILES
C=C[C@H]1CC[C@H]([C@H]2CC[C@H](CCCCC)CC2)CC1
InChI Key
ALEUVXQGVOQDBD-VVPTUSLJNA-N
InChI
InChI=1/C19H34/c1-3-5-6-7-17-10-14-19(15-11-17)18-12-8-16(4-2)9-13-18/h4,16-19H,2-3,5-15H2,1H3/t16-,17-,18-,19-
Names and Synonyms
- (Trans,Trans)-4-Ethenyl-4′-Pentyl-1,1′-Bicyclohexyl Synonym
- 1,1′-Bicyclohexyl, 4-ethenyl-4′-pentyl-, (trans,trans)- Synonym
- (trans,trans)-4-Ethenyl-4′-pentyl-1,1′-bicyclohexyl Synonym
- 4-Ethenyl-4′-pentylbicyclohexane Synonym
- CC 5V Synonym
- trans-4-Pentyl-trans-4′-vinylbicyclohexane Synonym
- 5-HH-V Synonym
- V-HH-5 Synonym
- (trans,trans)-4-Ethenyl-4′-pentyl-1,1′-bicyclohexane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 262.48 g/mol | CAS Common Chemistry |
| 262.48099999999994 g/mol | RDKit | |
| 262.481 g/mol | RDKit | |
| Canonical SMILES | C=CC1CCC(CC1)C2CCC(CCCCC)CC2 | CAS Common Chemistry |
| InChI | InChI=1/C19H34/c1-3-5-6-7-17-10-14-19(15-11-17)18-12-8-16(4-2)9-13-18/h4,16-19H,2-3,5-15H2,1H3/t16-,17-,18-,19- | CAS Common Chemistry |
| InChI Key | InChIKey=ALEUVXQGVOQDBD-VVPTUSLJNA-N | CAS Common Chemistry |
| Name | (trans,trans)-4-Ethenyl-4′-pentyl-1,1′-bicyclohexyl | CAS Common Chemistry |
| Heavy Atom Count | 19 | 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 | 6.365500000000006 | RDKit |
| 6.3655 | RDKit | |
| 6.81 | chempirical lib | |
| Molar Refractivity | 85.23500000000007 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8947 | RDKit |
| 0.89 | chempirical lib | |
| Exact Mass | 262.266051088 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.
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MW = 262.48 g/mol. Edit any field — others recompute live.
