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Molecule
L-Carvone
CAS: 6485-40-1 · C10H14O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 6485-40-1
- Molecular Formula
- C10H14O
- Molecular Mass
- 150.22 g/mol
Identifiers
CAS Registry Number
6485-40-1
SMILES
C=C(C)[C@@H]1CC=C(C)C(=O)C1
InChI Key
ULDHMXUKGWMISQ-SECBINFHSA-N
InChI
InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m1/s1
Names and Synonyms
- L-Carvone Synonym
- R-(-)-Carvone Synonym
- (-)-Carvone Synonym
- 2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (5R)- Synonym
- p-Mentha-6,8-dien-2-one, (R)-(-)- Synonym
- 2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (R)- Synonym
- (5R)-2-Methyl-5-(1-methylethenyl)-2-cyclohexen-1-one Synonym
- (-)-Carvone Synonym
- l-Carvone Synonym
- l-1-Methyl-4-isopropenyl-6-cyclohexen-2-one Synonym
- (-)-(R)-Carvone Synonym
- (-)-p-Mentha-6,8-dien-2-one Synonym
- (R)-Carvone Synonym
- (R)-(-)-Carvone Synonym
- L-(-)-Carvone Synonym
- (4R)-(-)-Carvone Synonym
- (R)-Carvone Synonym
- (-)-(5R)-Carvone Synonym
- (5R)-2-Methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 150.22 g/mol | CAS Common Chemistry |
| 150.22099999999998 g/mol | RDKit | |
| 150.221 g/mol | RDKit | |
| Density | 0.95 g/cm³ | CAS Common Chemistry |
| 0.9543 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Boiling Point | 228.5 °C | CAS Common Chemistry |
| Canonical SMILES | O=C1C(=CCC(C(=C)C)C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=ULDHMXUKGWMISQ-SECBINFHSA-N | CAS Common Chemistry |
| Melting Point | <25 °C | CAS Common Chemistry |
| Name | (-)-Carvone | 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 | 2.4879000000000007 | RDKit |
| 2.4879 | RDKit | |
| 2.6 | chempirical lib | |
| Molar Refractivity | 46.30200000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 150.104465068 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 = 150.22 g/mol; density = 0.950 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H14O.
