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Molecule
(-)-Myrtenol
CAS: 19894-97-4 · C10H16O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 19894-97-4
- Molecular Formula
- C10H16O
- Molecular Mass
- 152.24 g/mol
Identifiers
CAS Registry Number
19894-97-4
SMILES
CC1(C)[C@H]2CC=C(CO)[C@@H]1C2
InChI Key
RXBQNMWIQKOSCS-IUCAKERBSA-N
InChI
InChI=1S/C10H16O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9,11H,4-6H2,1-2H3/t8-,9-/m0/s1
Names and Synonyms
- (-)-Myrtenol Common Name
- Bicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-, (1R,5S)- Synonym
- 2-Pinen-10-ol, (1R,5S)-(-)- Synonym
- Bicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-, (1R)- Synonym
- (1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-ene-2-methanol Synonym
- (-)-Myrtenol Synonym
- l-Myrtenol Synonym
- (1R)-(-)-Myrtenol Synonym
- (1R)-Myrthenol Synonym
- (1R,5S)-Myrtenol Synonym
- ((1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)methanol 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 | |
| Canonical SMILES | OCC1=CCC2CC1C2(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H16O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9,11H,4-6H2,1-2H3/t8-,9-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=RXBQNMWIQKOSCS-IUCAKERBSA-N | CAS Common Chemistry |
| Name | (-)-Myrtenol | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 1.9710999999999999 | RDKit |
| 1.9711 | RDKit | |
| Molar Refractivity | 45.16380000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | 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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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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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 = 152.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H16O.
