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Molecule
(Z)-5-Octen-1-Ol
CAS: 64275-73-6 · C8H16O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 64275-73-6
- Molecular Formula
- C8H16O
- Molecular Mass
- 128.22 g/mol
Identifiers
CAS Registry Number
64275-73-6
SMILES
CC/C=CCCCCO
InChI Key
VDHRTASWKDTLER-ARJAWSKDSA-N
InChI
InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h3-4,9H,2,5-8H2,1H3/b4-3-
Names and Synonyms
- (Z)-5-Octen-1-Ol Common Name
- 5-Octen-1-ol, (5Z)- Synonym
- 5-Octen-1-ol, (Z)- Synonym
- (5Z)-5-Octen-1-ol Synonym
- (Z)-5-Octen-1-ol Synonym
- (Z)-Oct-5-en-1-ol Synonym
- cis-5-Octenol 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 | |
| Canonical SMILES | OCCCCC=CCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h3-4,9H,2,5-8H2,1H3/b4-3- | CAS Common Chemistry |
| InChI Key | InChIKey=VDHRTASWKDTLER-ARJAWSKDSA-N | CAS Common Chemistry |
| Name | (Z)-5-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 |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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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MW = 128.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H16O.
