Back to Search
(+)-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 Weight:
152.23699999999997 g/mol
Names and Synonyms:
(+)-Dihydrocarvone
trans-(+)-Dihydrocarvone
(2R,5R)-2-Methyl-5-(prop-1-en-2-yl)cyclohexan-1-one
(2R,5R)-(+)-Dihydrocarvone
(+)-trans-Dihydrocarvone
d-Dihydrocarvone
(2R,5R)-5-Isopropenyl-2-methylcyclohexanone
(1R,4R)-Dihydrocarvone
(1R,4R)-(+)-Dihydrocarvone
(+)-Dihydrocarvone
(2R,5R)-2-Methyl-5-(1-methylethenyl)cyclohexanone
Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, (2R-trans)-
p-Menth-8-en-2-one, (+)-
Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, (2R,5R)-
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
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 |
|---|---|---|---|
| Molecular | Molecular Weight | 152.23699999999997 g/mol | RDKit |
| Exact | Exact Molecular Weight | 152.120115132 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 |
| Physical Properties | LogP | 2.567800000000001 | RDKit |
| molecular_mass | 152.24 g/mol | Legacy Database | |
| cas-boiling-point | 98-99 °C @ Press: 16 Torr | Legacy Database | |
| cas-canonical-smile | O=C1CC(C(=C)C)CCC1C | Legacy Database | |
| cas-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 | Legacy Database | |
| cas-inchi-key | InChIKey=AZOCECCLWFDTAP-RKDXNWHRSA-N | Legacy Database | |
| cas-name | (+)-Dihydrocarvone | Legacy Database | |
| Molar | Molar Refractivity | 46.32600000000003 | RDKit |
