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Cis-2-Penten-1-Ol
CAS: 1576-95-0 | C5H10O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1576-95-0
Molecular Formula:
C5H10O
Molecular Mass:
86.13 g/mol
Names and Synonyms:
Cis-2-Penten-1-Ol
2-Penten-1-ol, (2Z)-
2-Penten-1-ol, (Z)-
(2Z)-2-Penten-1-ol
cis-2-Penten-1-ol
cis-2-Pentenol
(Z)-2-Penten-1-ol
Nor leaf alcohol
(2Z)-Pent-2-en-1-ol
Identifiers:
SMILES:
CC/C=CCO
InChI:
InChI=1S/C5H10O/c1-2-3-4-5-6/h3-4,6H,2,5H2,1H3/b4-3-
Key Properties
Boiling Point
138 °C
CAS Common Chemistry
Density
0.85 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 86.13 g/mol | CAS Common Chemistry |
| 86.134 g/mol | RDKit | |
| 86.07316494 g/mol | RDKit | |
| Density | 0.85 g/cm³ | CAS Common Chemistry |
| 0.8529 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 138 °C | CAS Common Chemistry |
| Canonical SMILES | OCC=CCC | CAS Common Chemistry |
| InChI | InChI=1S/C5H10O/c1-2-3-4-5-6/h3-4,6H,2,5H2,1H3/b4-3- | CAS Common Chemistry |
| InChI Key | InChIKey=BTSIZIIPFNVMHF-ARJAWSKDSA-N | CAS Common Chemistry |
| Name | cis-2-Penten-1-ol | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 0.9448999999999999 | RDKit |
| Molar Refractivity | 26.51679999999999 | RDKit |
