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Molecule
Α-Campholenal
CAS: 4501-58-0 · C10H16O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4501-58-0
- Molecular Formula
- C10H16O
- Molecular Mass
- 152.24 g/mol
Identifiers
CAS Registry Number
4501-58-0
SMILES
CC1=CC[C@H](CC=O)C1(C)C
InChI Key
OGCGGWYLHSJRFY-SECBINFHSA-N
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
Names and Synonyms
- Α-Campholenal Common Name
- 3-Cyclopentene-1-acetaldehyde, 2,2,3-trimethyl-, (1R)- Synonym
- 3-Cyclopentene-1-acetaldehyde, 2,2,3-trimethyl-, (R)- Synonym
- α-Campholenaldehyde Synonym
- (1R)-2,2,3-Trimethyl-3-cyclopentene-1-acetaldehyde Synonym
- α-Campholenic aldehyde Synonym
- α-Campholenal Synonym
- α-Campholene aldehyde Synonym
- (+)-α-Campholenaldehyde Synonym
- (R)-α-Campholenic aldehyde Synonym
- (+)-(R)-Campholenaldehyde Synonym
- (+)-Campholenal Synonym
- (+)-α-Campholenic aldehyde Synonym
- (R)-(+)-Campholenic aldehyde Synonym
- (+)-Campholenaldehyde Synonym
- (+)-(R)-α-Campholenic aldehyde Synonym
- (R)-Campholenal Synonym
- 2-[(1R)-2,2,3-Trimethylcyclopent-3-en-1-yl]acetaldehyde Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 152.24 g/mol | CAS Common Chemistry |
| 152.237 g/mol | RDKit | |
| Canonical SMILES | O=CCC1CC=C(C)C1(C)C | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=OGCGGWYLHSJRFY-SECBINFHSA-N | CAS Common Chemistry |
| Name | α-Campholenal | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | 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 | 68-70 °C @ 9 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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.
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.
