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Molecule
(E)-2-Octen-1-Ol
CAS: 18409-17-1 · C8H16O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 18409-17-1
- Molecular Formula
- C8H16O
- Molecular Mass
- 128.21 g/mol
Identifiers
CAS Registry Number
18409-17-1
SMILES
CCCCC/C=C/CO
InChI Key
AYQPVPFZWIQERS-VOTSOKGWSA-N
InChI
InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h6-7,9H,2-5,8H2,1H3/b7-6+
Names and Synonyms
- (E)-2-Octen-1-Ol Common Name
- 2-Octen-1-ol, (2E)- Synonym
- 2-Octen-1-ol, (E)- Synonym
- (2E)-2-Octen-1-ol Synonym
- trans-2-Octenol Synonym
- trans-2-Octen-1-ol Synonym
- n-Oct-trans-2-en-1-ol Synonym
- (E)-2-Octenol Synonym
- (E)-2-Octen-1-ol Synonym
- (2E)-Oct-2-en-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 128.21 g/mol | CAS Common Chemistry |
| 128.21499999999997 g/mol | RDKit | |
| 128.215 g/mol | RDKit | |
| Density | 0.84 g/cm³ | CAS Common Chemistry |
| 0.8435 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | OCC=CCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h6-7,9H,2-5,8H2,1H3/b7-6+ | CAS Common Chemistry |
| InChI Key | InChIKey=AYQPVPFZWIQERS-VOTSOKGWSA-N | CAS Common Chemistry |
| Name | (E)-2-Octen-1-ol | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 2.1152 | RDKit |
| Molar Refractivity | 40.3678 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 128.120115132 g/mol | RDKit |
| Boiling Point | 70.5-70.7 °C @ 10 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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 = 128.21 g/mol; density = 0.840 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H16O.
