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Molecule
Α-Pinene Oxide
CAS: 1686-14-2 · C10H16O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1686-14-2
- Molecular Formula
- C10H16O
- Molecular Mass
- 152.24 g/mol
Identifiers
CAS Registry Number
1686-14-2
SMILES
CC1(C)C2CC3OC3(C)C1C2
InChI Key
NQFUSWIGRKFAHK-UHFFFAOYSA-N
InChI
InChI=1S/C10H16O/c1-9(2)6-4-7(9)10(3)8(5-6)11-10/h6-8H,4-5H2,1-3H3
Names and Synonyms
- Α-Pinene Oxide Common Name
- 3-Oxatricyclo[4.1.1.02,4]octane, 2,7,7-trimethyl- Synonym
- Pinane, 2,3-epoxy- Synonym
- 2,7,7-Trimethyl-3-oxatricyclo[4.1.1.02,4]octane Synonym
- α-Pinene epoxide Synonym
- α-Pinene oxide Synonym
- 2,3-Epoxypinane Synonym
- α-Pinene 2,3-oxide Synonym
- NSC 12148 Synonym
- NSC 407160 Synonym
- NSC 5609 Synonym
- PNO Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 152.24 g/mol | CAS Common Chemistry |
| 152.237 g/mol | RDKit | |
| Density | 0.98 g/cm³ | CAS Common Chemistry |
| 0.9812 g/cm3 @ 0 °C | CAS Common Chemistry | |
| Boiling Point | 102.5 °C | CAS Common Chemistry |
| Canonical SMILES | O1C2CC3CC(C12C)C3(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H16O/c1-9(2)6-4-7(9)10(3)8(5-6)11-10/h6-8H,4-5H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NQFUSWIGRKFAHK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | α-Pinene oxide | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.53 Ų | RDKit |
| LogP | 2.2099 | RDKit |
| Molar Refractivity | 43.27300000000001 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 152.120115132 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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| 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 = 152.24 g/mol; density = 0.980 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H16O.
