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(+)-Fenchone
CAS: 4695-62-9 | C10H16O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4695-62-9
Molecular Formula:
C10H16O
Molecular Weight:
152.237 g/mol
Names and Synonyms:
(+)-Fenchone
(S)-Fenchone
(S)-(+)-Fenchone
(1S)-Fenchone
D-Fenchone
D(+)-Fenchone
(+)-Fenchone
(1S,4R)-1,3,3-Trimethylbicyclo[2.2.1]heptan-2-one
Bicyclo[2.2.1]heptan-2-one, 1,3,3-trimethyl-, (1S)-
2-Norbornanone, 1,3,3-trimethyl-, (1S,4R)-(+)-
Bicyclo[2.2.1]heptan-2-one, 1,3,3-trimethyl-, (1S,4R)-
Identifiers:
SMILES:
CC1(C)C(=O)[C@@]2(C)CC[C@@H]1C2
InChI:
InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3/t7-,10+/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 | 152.237 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 | 0 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 17.07 Ų | RDKit |
| Physical Properties | LogP | 2.401700000000001 | RDKit |
| molecular_mass | 152.24 g/mol | Legacy Database | |
| density | 1.20 g/cm³ | Legacy Database | |
| cas-canonical-smile | O=C1C(C)(C)C2CCC1(C)C2 | Legacy Database | |
| cas-density | 1.1995 g/cm3 @ Temp: 25.00 °C | Legacy Database | |
| cas-inchi | InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3/t7-,10+/m1/s1 | Legacy Database | |
| cas-inchi-key | InChIKey=LHXDLQBQYFFVNW-XCBNKYQSSA-N | Legacy Database | |
| cas-melting-point | 6.1 °C | Legacy Database | |
| cas-name | (+)-Fenchone | Legacy Database | |
| Molar | Molar Refractivity | 44.23600000000002 | RDKit |
