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Molecule
Sabinene
CAS: 3387-41-5 · C10H16
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3387-41-5
- Molecular Formula
- C10H16
- Molecular Mass
- 136.24 g/mol
Identifiers
CAS Registry Number
3387-41-5
SMILES
C=C1CCC2(C(C)C)CC12
InChI Key
NDVASEGYNIMXJL-UHFFFAOYSA-N
InChI
InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3
Names and Synonyms
- Sabinene Synonym
- Bicyclo[3.1.0]hexane, 4-methylene-1-(1-methylethyl)- Synonym
- 4(10)-Thujene Synonym
- 4-Methylene-1-(1-methylethyl)bicyclo[3.1.0]hexane Synonym
- Sabinene Synonym
- Sabinen Synonym
- 1-Isopropyl-4-methylenebicyclo[3.1.0]hexane Synonym
- Sabenene Synonym
- NSC 407278 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 136.24 g/mol | CAS Common Chemistry |
| 136.238 g/mol | RDKit | |
| Density | 0.84 g/cm³ | CAS Common Chemistry |
| 0.8422 g/cm3 @ 17 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sabinene | 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 |
| 2.9987 | RDKit | |
| Molar Refractivity | 43.75200000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 136.125200512 g/mol | RDKit |
| Boiling Point | 163-165 °C @ 757.600625 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
100
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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 = 136.24 g/mol; density = 0.840 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H16.
