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(+)-Dihydrocarvone
CAS: 5524-05-0 | C10H16O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5524-05-0
Molecular Formula:
C10H16O
Molecular Mass:
152.24 g/mol
Names and Synonyms:
(+)-Dihydrocarvone
Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, (2R,5R)-
p-Menth-8-en-2-one, (+)-
Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, (2R-trans)-
(2R,5R)-2-Methyl-5-(1-methylethenyl)cyclohexanone
(+)-Dihydrocarvone
(1R,4R)-(+)-Dihydrocarvone
(1R,4R)-Dihydrocarvone
(2R,5R)-5-Isopropenyl-2-methylcyclohexanone
d-Dihydrocarvone
(+)-trans-Dihydrocarvone
(2R,5R)-(+)-Dihydrocarvone
(2R,5R)-2-Methyl-5-(prop-1-en-2-yl)cyclohexan-1-one
trans-(+)-Dihydrocarvone
Identifiers:
SMILES:
C=C(C)[C@@H]1CC[C@@H](C)C(=O)C1
InChI:
InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-9H,1,4-6H2,2-3H3/t8-,9-/m1/s1
Key Properties
Boiling Point
98-99 °C @ Press: 16 Torr
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 152.24 g/mol | CAS Common Chemistry |
| 152.23699999999997 g/mol | RDKit | |
| 152.120115132 g/mol | RDKit | |
| Boiling Point | 98-99 °C @ Press: 16 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C1CC(C(=C)C)CCC1C | CAS Common Chemistry |
| InChI | InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-9H,1,4-6H2,2-3H3/t8-,9-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=AZOCECCLWFDTAP-RKDXNWHRSA-N | CAS Common Chemistry |
| Name | (+)-Dihydrocarvone | 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 | 2.567800000000001 | RDKit |
| Molar Refractivity | 46.32600000000003 | RDKit |
