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Molecule
(Z)-3-Nonen-1-Ol
CAS: 10340-23-5 · C9H18O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 10340-23-5
- Molecular Formula
- C9H18O
- Molecular Mass
- 142.24 g/mol
Identifiers
CAS Registry Number
10340-23-5
SMILES
CCCCC/C=CCCO
InChI Key
IFTBJDZSLBRRMC-SREVYHEPSA-N
InChI
InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h6-7,10H,2-5,8-9H2,1H3/b7-6-
Names and Synonyms
- (Z)-3-Nonen-1-Ol Synonym
- 3-Nonen-1-ol, (3Z)- Synonym
- 3-Nonen-1-ol, (Z)- Synonym
- (3Z)-3-Nonen-1-ol Synonym
- cis-3-Nonen-1-ol Synonym
- cis-3-Nonenol Synonym
- (Z)-3-Nonen-1-ol Synonym
- 3(Z)-Nonenol Synonym
- (Z)-3-Nonen-1-ol Synonym
- (3Z)-Non-3-en-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 142.24 g/mol | CAS Common Chemistry |
| 142.242 g/mol | RDKit | |
| Canonical SMILES | OCCC=CCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h6-7,10H,2-5,8-9H2,1H3/b7-6- | CAS Common Chemistry |
| InChI Key | InChIKey=IFTBJDZSLBRRMC-SREVYHEPSA-N | CAS Common Chemistry |
| Name | (Z)-3-Nonen-1-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 | 2.5053000000000005 | RDKit |
| 2.5053 | RDKit | |
| Molar Refractivity | 44.984800000000014 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 |
| Boiling Point | 103-104 °C @ 20 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
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
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MW = 142.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H18O.
