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Molecule
(+)-Isomenthol
CAS: 23283-97-8 · C10H20O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 23283-97-8
- Molecular Formula
- C10H20O
- Molecular Mass
- 156.27 g/mol
Identifiers
CAS Registry Number
23283-97-8
SMILES
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O
InChI Key
NOOLISFMXDJSKH-BBBLOLIVSA-N
InChI
InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9-,10+/m1/s1
Names and Synonyms
- (+)-Isomenthol Common Name
- Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1S,2R,5R)- Synonym
- Menthol, (1R,3S,4R)-(+)- Synonym
- Cyclohexanol, 5-methyl-2-(1-methylethyl)-, [1S-(1α,2β,5β)]- Synonym
- (1S,2R,5R)-5-Methyl-2-(1-methylethyl)cyclohexanol Synonym
- (+)-Isomenthol Synonym
- d-Isomenthol Synonym
- (1S,2R,5R)-(+)-Isomenthol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 156.27 g/mol | CAS Common Chemistry |
| 156.269 g/mol | RDKit | |
| Canonical SMILES | OC1CC(C)CCC1C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9-,10+/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=NOOLISFMXDJSKH-BBBLOLIVSA-N | CAS Common Chemistry |
| Melting Point | 79.5 °C | CAS Common Chemistry |
| Name | (+)-Isomenthol | 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 | 2.439500000000001 | RDKit |
| 2.4395 | RDKit | |
| Molar Refractivity | 47.34980000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 156.15141526 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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 = 156.27 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H20O.
