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Molecule
(1R)-Α-Pinene
CAS: 7785-70-8 · C10H16
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7785-70-8
- Molecular Formula
- C10H16
- Molecular Mass
- 136.24 g/mol
Identifiers
CAS Registry Number
7785-70-8
SMILES
CC1=CC[C@@H]2C[C@H]1C2(C)C
InChI Key
GRWFGVWFFZKLTI-RKDXNWHRSA-N
InChI
InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m1/s1
Names and Synonyms
- (1R)-Α-Pinene Common Name
- Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1R,5R)- Synonym
- 2-Pinene, (1R,5R)-(+)- Synonym
- Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1R)- Synonym
- (1R,5R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene Synonym
- d-α-Pinene Synonym
- (+)-(1R,5R)-α-Pinene Synonym
- (+)-2-Pinene Synonym
- (R)-(+)-α-Pinene Synonym
- (1R,5R)-(+)-α-Pinene Synonym
- (+)-α-Pinene Synonym
- (1R)-(+)-α-Pinene Synonym
- (+)-(1R)-α-Pinene Synonym
- (1R)-α-Pinene Synonym
- (1R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene Synonym
- (1R,5R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene 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 | 0.85 g/cm³ | CAS Common Chemistry |
| 0.846158 g/cm3 @ 35.00 °C | CAS Common Chemistry | |
| Boiling Point | 155.5 °C | CAS Common Chemistry |
| Canonical SMILES | C1=C(C)C2CC(C1)C2(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=GRWFGVWFFZKLTI-RKDXNWHRSA-N | CAS Common Chemistry |
| Melting Point | -62 °C | CAS Common Chemistry |
| Name | (1R)-α-Pinene | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | 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 | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 136.125200512 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 0.850 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H16.
