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Molecule
(-)-Menthone
CAS: 14073-97-3 · C10H18O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 14073-97-3
- Molecular Formula
- C10H18O
- Molecular Mass
- 154.25 g/mol
Identifiers
CAS Registry Number
14073-97-3
SMILES
CC(C)[C@@H]1CC[C@@H](C)CC1=O
InChI Key
NFLGAXVYCFJBMK-BDAKNGLRSA-N
InChI
InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1
Names and Synonyms
- (-)-Menthone Synonym
- Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2S,5R)- Synonym
- p-Menthan-3-one, (1R,4S)-(-)- Synonym
- Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2S-trans)- Synonym
- (2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexanone Synonym
- (-)-Menthone Synonym
- L-Menthone Synonym
- trans-(-)-p-Menthan-3-one Synonym
- (1R,4S)-Menthone Synonym
- l-Menthone Synonym
- (1R,4S)-p-Menthan-3-one Synonym
- (1R,4S)-p-Menth-3-one Synonym
- (2S,5R)-2-Isopropyl-5-methylcyclohexanone Synonym
- (2S,5R)-(-)-Menthone Synonym
- (2S,5R)-2-Isopropyl-5-methylcyclohexan-1-one Synonym
- (2S,5R)-2-Isopropyl-5-methylcyclohexanone Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 154.25 g/mol | CAS Common Chemistry |
| 154.253 g/mol | RDKit | |
| Density | 0.90 g/cm³ | CAS Common Chemistry |
| 0.8955 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 207 °C | CAS Common Chemistry |
| Canonical SMILES | O=C1CC(C)CCC1C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=NFLGAXVYCFJBMK-BDAKNGLRSA-N | CAS Common Chemistry |
| Melting Point | -6 °C | CAS Common Chemistry |
| Name | (-)-Menthone | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 2.6477000000000013 | RDKit |
| 2.6477 | RDKit | |
| Molar Refractivity | 46.35000000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9 | RDKit |
| Exact Mass | 154.135765196 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 154.25 g/mol; density = 0.900 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H18O.
