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Sabinene
CAS: 3387-41-5 | C10H16
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3387-41-5
Molecular Formula:
C10H16
Molecular Mass:
136.24 g/mol
Names and Synonyms:
Sabinene
Bicyclo[3.1.0]hexane, 4-methylene-1-(1-methylethyl)-
4(10)-Thujene
4-Methylene-1-(1-methylethyl)bicyclo[3.1.0]hexane
Sabinene
Sabinen
1-Isopropyl-4-methylenebicyclo[3.1.0]hexane
Sabenene
NSC 407278
Identifiers:
SMILES:
C=C1CCC2(C(C)C)CC12
InChI:
InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3
Key Properties
Boiling Point
163-165 °C @ Press: 757.600625 Torr
CAS Common Chemistry
Density
0.84 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 | 136.24 g/mol | CAS Common Chemistry |
| 136.238 g/mol | RDKit | |
| 136.125200512 g/mol | RDKit | |
| Density | 0.84 g/cm³ | CAS Common Chemistry |
| 0.8422 g/cm3 @ Temp: 17 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sabinene | CAS Common Chemistry |
| Boiling Point | 163-165 °C @ Press: 757.600625 Torr | CAS Common Chemistry |
| Canonical SMILES | C=C1CCC2(CC12)C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NDVASEGYNIMXJL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sabinene | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.9987000000000013 | RDKit |
| Molar Refractivity | 43.75200000000002 | RDKit |
