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Α-Campholenal
CAS: 4501-58-0 | C10H16O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4501-58-0
Molecular Formula:
C10H16O
Molecular Weight:
152.237 g/mol
Names and Synonyms:
Α-Campholenal
2-[(1R)-2,2,3-Trimethylcyclopent-3-en-1-yl]acetaldehyde
(R)-Campholenal
(+)-(R)-α-Campholenic aldehyde
(+)-Campholenaldehyde
(R)-(+)-Campholenic aldehyde
(+)-α-Campholenic aldehyde
(+)-Campholenal
(+)-(R)-Campholenaldehyde
(R)-α-Campholenic aldehyde
(+)-α-Campholenaldehyde
α-Campholene aldehyde
α-Campholenal
α-Campholenic aldehyde
(1R)-2,2,3-Trimethyl-3-cyclopentene-1-acetaldehyde
α-Campholenaldehyde
3-Cyclopentene-1-acetaldehyde, 2,2,3-trimethyl-, (R)-
3-Cyclopentene-1-acetaldehyde, 2,2,3-trimethyl-, (1R)-
Identifiers:
SMILES:
CC1=CC[C@H](CC=O)C1(C)C
InChI:
InChI=1S/C10H16O/c1-8-4-5-9(6-7-11)10(8,2)3/h4,7,9H,5-6H2,1-3H3/t9-/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 | 2 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 | 68-70 °C @ Press: 9 Torr | Legacy Database | |
| cas-canonical-smile | O=CCC1CC=C(C)C1(C)C | Legacy Database | |
| cas-inchi | InChI=1S/C10H16O/c1-8-4-5-9(6-7-11)10(8,2)3/h4,7,9H,5-6H2,1-3H3/t9-/m1/s1 | Legacy Database | |
| cas-inchi-key | InChIKey=OGCGGWYLHSJRFY-SECBINFHSA-N | Legacy Database | |
| cas-name | α-Campholenal | Legacy Database | |
| Molar | Molar Refractivity | 46.32600000000003 | RDKit |
