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Molecule
Omega
CAS: 3391-86-4 · C8H16O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3391-86-4
- Molecular Formula
- C8H16O
- Molecular Mass
- 128.22 g/mol
Identifiers
CAS Registry Number
3391-86-4
SMILES
C=CC(O)CCCCC
InChI Key
VSMOENVRRABVKN-UHFFFAOYSA-N
InChI
InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3
Names and Synonyms
- Omega Synonym
- 1-Octen-3-Ol Synonym
- 1-Octen-3-ol Synonym
- Amyl vinyl carbinol Synonym
- Vinyl amyl carbinol Synonym
- 3-Hydroxy-1-octene Synonym
- n-Oct-1-en-3-ol Synonym
- 1-Vinylhexanol Synonym
- Pentylvinylcarbinol Synonym
- (±)-1-Octen-3-ol Synonym
- dl-1-Octen-3-ol Synonym
- NSC 87563 Synonym
- Primaverol Synonym
- Morrilol Synonym
- Moguchun Synonym
- Morillol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 128.22 g/mol | CAS Common Chemistry |
| 128.215 g/mol | RDKit | |
| Density | 0.83 g/cm³ | CAS Common Chemistry |
| 0.8324 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1-Octen-3-ol | CAS Common Chemistry |
| Canonical SMILES | OC(C=C)CCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VSMOENVRRABVKN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-Octen-3-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 | 2.1136 | RDKit |
| Molar Refractivity | 40.345800000000004 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 | 55.0-55.5 °C @ 5 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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 = 128.22 g/mol; density = 0.830 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H16O.
