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Molecule
(+)-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
Identifiers
CAS Registry Number
5524-05-0
SMILES
C=C(C)[C@@H]1CC[C@@H](C)C(=O)C1
InChI Key
AZOCECCLWFDTAP-RKDXNWHRSA-N
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
Names and Synonyms
- (+)-Dihydrocarvone Common Name
- Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, (2R,5R)- Synonym
- p-Menth-8-en-2-one, (+)- Synonym
- Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, (2R-trans)- Synonym
- (2R,5R)-2-Methyl-5-(1-methylethenyl)cyclohexanone Synonym
- (+)-Dihydrocarvone Synonym
- (1R,4R)-(+)-Dihydrocarvone Synonym
- (1R,4R)-Dihydrocarvone Synonym
- (2R,5R)-5-Isopropenyl-2-methylcyclohexanone Synonym
- d-Dihydrocarvone Synonym
- (+)-trans-Dihydrocarvone Synonym
- (2R,5R)-(+)-Dihydrocarvone Synonym
- (2R,5R)-2-Methyl-5-(prop-1-en-2-yl)cyclohexan-1-one Synonym
- trans-(+)-Dihydrocarvone Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 152.24 g/mol | CAS Common Chemistry |
| 152.23699999999997 g/mol | RDKit | |
| 152.237 g/mol | RDKit | |
| 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 |
| 2.5678 | RDKit | |
| Molar Refractivity | 46.32600000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7 | RDKit |
| Exact Mass | 152.120115132 g/mol | RDKit |
| Boiling Point | 98-99 °C @ 16 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 152.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H16O.
