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(2R)-2-(3-Buten-1-Yl)Oxirane
CAS: 137688-20-1 | C6H10O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
137688-20-1
Molecular Formula:
C6H10O
Molecular Mass:
98.14 g/mol
Names and Synonyms:
(2R)-2-(3-Buten-1-Yl)Oxirane
Oxirane, 2-(3-buten-1-yl)-, (2R)-
Oxirane, 3-butenyl-, (2R)-
(2R)-2-(3-Buten-1-yl)oxirane
(+)-1,2-Epoxy-5-hexene
(+)-3-Butenyloxirane
(2R)-But-3-en-1-yloxirane
(R)-(+)-2-(3-Butenyl)oxirane
(R)-2-(But-3-enyl)oxirane
(2R)-2-(But-3-en-1-yl)oxirane
Identifiers:
SMILES:
C=CCC[C@@H]1CO1
InChI:
InChI=1S/C6H10O/c1-2-3-4-6-5-7-6/h2,6H,1,3-5H2/t6-/m1/s1
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 | 98.14 g/mol | CAS Common Chemistry |
| 98.14499999999998 g/mol | RDKit | |
| 98.07316494 g/mol | RDKit | |
| Canonical SMILES | O1CC1CCC=C | CAS Common Chemistry |
| InChI | InChI=1S/C6H10O/c1-2-3-4-6-5-7-6/h2,6H,1,3-5H2/t6-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=MUUOUUYKIVSIAR-ZCFIWIBFSA-N | CAS Common Chemistry |
| Name | (2R)-2-(3-Buten-1-yl)oxirane | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.53 Ų | RDKit |
| LogP | 1.3514 | RDKit |
| Molar Refractivity | 29.170999999999985 | RDKit |
