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(+)-Carvone
CAS: 2244-16-8 | C10H14O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2244-16-8
- Molecular Formula
- C10H14O
- Molecular Mass
- 150.22 g/mol
Identifiers
CAS Registry Number
2244-16-8
SMILES
C=C(C)[C@H]1CC=C(C)C(=O)C1
InChI Key
ULDHMXUKGWMISQ-VIFPVBQESA-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-/m0/s1
Names and Synonyms
- (+)-Carvone Common Name
- 2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (5S)- Synonym
- p-Mentha-6,8-dien-2-one, (S)-(+)- Synonym
- 2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (S)- Synonym
- (5S)-2-Methyl-5-(1-methylethenyl)-2-cyclohexen-1-one Synonym
- (+)-Carvone Synonym
- d-Carvone Synonym
- d-1-Methyl-4-isopropenyl-6-cyclohexen-2-one Synonym
- Carvone, (+)- Synonym
- (S)-Carvone Synonym
- (S)-(+)-Carvone Synonym
- D-(+)-Carvone Synonym
- D-Carvone Synonym
- Talent Synonym
- (S)-(+)-p-Mentha-6,8-dien-2-one Synonym
- (S)-2-Methyl-5-(1-methylethenyl)-2-cyclohexen-1-one Synonym
- (S)-2-Methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one Synonym
- (5S)-2-Methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one Synonym
- (S)-2-Methyl-5-(prop-1-en-2-yl)cyclohex-2-enone 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 | 0.96 g/cm³ | CAS Common Chemistry |
| 0.960 g/cm3 @ 24 °C | CAS Common Chemistry | |
| Boiling Point | 231 °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-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=ULDHMXUKGWMISQ-VIFPVBQESA-N | CAS Common Chemistry |
| Melting Point | <15 °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
Related
Related molecules
Other compounds with formula C10H14O.
