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Molecule
(5E)-5-Decen-1-Ol
CAS: 56578-18-8 · C10H20O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 56578-18-8
- Molecular Formula
- C10H20O
- Molecular Mass
- 156.27 g/mol
Identifiers
CAS Registry Number
56578-18-8
SMILES
CCCC/C=C/CCCCO
InChI Key
WYPQHXVMNVEVEB-AATRIKPKSA-N
InChI
InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h5-6,11H,2-4,7-10H2,1H3/b6-5+
Names and Synonyms
- (5E)-5-Decen-1-Ol Synonym
- 5-Decen-1-ol, (5E)- Synonym
- 5-Decen-1-ol, (E)- Synonym
- (5E)-5-Decen-1-ol Synonym
- trans-5-Decen-1-ol Synonym
- (E)-5-Decen-1-ol Synonym
- (E)-5-Decenol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 156.27 g/mol | CAS Common Chemistry |
| 156.26899999999998 g/mol | RDKit | |
| 156.269 g/mol | RDKit | |
| Canonical SMILES | OCCCCC=CCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h5-6,11H,2-4,7-10H2,1H3/b6-5+ | CAS Common Chemistry |
| InChI Key | InChIKey=WYPQHXVMNVEVEB-AATRIKPKSA-N | CAS Common Chemistry |
| Name | (5E)-5-Decen-1-ol | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 2.8954000000000018 | RDKit |
| 2.8954 | RDKit | |
| Molar Refractivity | 49.60180000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 156.15141526 g/mol | RDKit |
| Boiling Point | 95-96 °C @ 2 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 = 156.27 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H20O.
