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Carvone
CAS: 99-49-0 | C10H14O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
99-49-0
Molecular Formula:
C10H14O
Molecular Weight:
150.22099999999998 g/mol
Names and Synonyms:
Carvone
2-Methyl-5-(prop-1-en-2-yl)cyclohex-2-enone
2-Methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
2-Methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one
2-Methyl-5-(1-methyl-1-ethenyl)-2-cyclohexen-1-one
5-Isopropenyl-2-methylcyclohex-2-enone
Limonen-6-one
NSC 6275
2-Methyl-5-isopropenyl-2-cyclohexenone
(±)-Carvone
DL-Carvone
5-Isopropyl-2-methyl-2-cyclohexen-1-one
Karvon
p-Mentha-1(6),8-dien-2-one
Carvone
2-Methyl-5-(1-methylethenyl)-2-cyclohexen-1-one
p-Mentha-6,8-dien-2-one
2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-
Identifiers:
SMILES:
C=C(C)C1CC=C(C)C(=O)C1
InChI:
InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3
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 |
|---|---|---|---|
| Physical Properties | molecular_mass | 150.22 g/mol | Legacy Database |
| density | 0.96 g/cm³ | Legacy Database | |
| wikipedia_url | https://en.wikipedia.org/wiki/Carvone | Legacy Database | |
| cas-boiling-point | 231 °C | Legacy Database | |
| cas-canonical-smile | O=C1C(=CCC(C(=C)C)C1)C | Legacy Database | |
| cas-density | 0.9600 g/cm3 @ Temp: 26 °C | Legacy Database | |
| cas-inchi | InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3 | Legacy Database | |
| cas-inchi-key | InChIKey=ULDHMXUKGWMISQ-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 100 °C | Legacy Database | |
| cas-name | Carvone | Legacy Database | |
| wikipedia-name | Carvone | Legacy Database | |
| LogP | 2.4879000000000007 | RDKit | |
| Molecular | Molecular Weight | 150.22099999999998 g/mol | RDKit |
| Exact | Exact Molecular Weight | 150.104465068 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 1 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 17.07 Ų | RDKit |
| Molar | Molar Refractivity | 46.30200000000003 | RDKit |
