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(-)-Myrtenol
CAS: 19894-97-4 | C10H16O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
19894-97-4
Molecular Formula:
C10H16O
Molecular Weight:
152.237 g/mol
Names and Synonyms:
(-)-Myrtenol
((1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)methanol
(1R,5S)-Myrtenol
(1R)-Myrthenol
(1R)-(-)-Myrtenol
l-Myrtenol
(-)-Myrtenol
(1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-ene-2-methanol
Bicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-, (1R)-
2-Pinen-10-ol, (1R,5S)-(-)-
Bicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-, (1R,5S)-
Identifiers:
SMILES:
CC1(C)[C@H]2CC=C(CO)[C@@H]1C2
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
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
| Category | Property | Value | Source |
|---|---|---|---|
| Hydrogen | Hydrogen Bond Donors | 1 count | RDKit |
| Hydrogen Bond Acceptors | 1 count | RDKit | |
| Rotatable | Rotatable Bonds | 1 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 20.23 Ų | RDKit |
| Physical Properties | LogP | 1.9710999999999999 | RDKit |
| molecular_mass | 152.24 g/mol | Legacy Database | |
| cas-canonical-smile | OCC1=CCC2CC1C2(C)C | Legacy Database | |
| cas-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 | Legacy Database | |
| cas-inchi-key | InChIKey=RXBQNMWIQKOSCS-IUCAKERBSA-N | Legacy Database | |
| cas-name | (-)-Myrtenol | Legacy Database | |
| Molar | Molar Refractivity | 45.16380000000002 | RDKit |
| Molecular | Molecular Weight | 152.237 g/mol | RDKit |
| Exact | Exact Molecular Weight | 152.120115132 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
