Back to Search
Molecule
1-Nonen-3-Ol
CAS: 21964-44-3 · C9H18O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 21964-44-3
- Molecular Formula
- C9H18O
- Molecular Mass
- 142.24 g/mol
Identifiers
CAS Registry Number
21964-44-3
SMILES
C=CC(O)CCCCCC
InChI Key
DWUPJMHAPOQKGJ-UHFFFAOYSA-N
InChI
InChI=1S/C9H18O/c1-3-5-6-7-8-9(10)4-2/h4,9-10H,2-3,5-8H2,1H3
Names and Synonyms
- 1-Nonen-3-Ol Systematic Name
- 1-Nonen-3-ol Synonym
- Hexylvinylcarbinol Synonym
- 1-Vinylheptanol Synonym
- 3-Hydroxy-1-nonene Synonym
- (±)-1-Nonen-3-ol Synonym
- NSC 102782 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 142.24 g/mol | CAS Common Chemistry |
| 142.24200000000002 g/mol | RDKit | |
| 142.242 g/mol | RDKit | |
| Density | 0.82 g/cm³ | CAS Common Chemistry |
| 0.824 g/cm3 @ 21 °C | CAS Common Chemistry | |
| Boiling Point | 193.5 °C | CAS Common Chemistry |
| Canonical SMILES | OC(C=C)CCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C9H18O/c1-3-5-6-7-8-9(10)4-2/h4,9-10H,2-3,5-8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DWUPJMHAPOQKGJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-Nonen-3-ol | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 2.5037000000000003 | RDKit |
| 2.5037 | RDKit | |
| Molar Refractivity | 44.96280000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7778 | RDKit |
| 0.78 | chempirical lib | |
| Exact Mass | 142.135765196 g/mol | RDKit |
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
60
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
Convert
Quick conversion
MW = 142.24 g/mol; density = 0.820 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H18O.
