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2-Cyclopentylcyclopentanone
CAS: 4884-24-6 | C10H16O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4884-24-6
Molecular Formula:
C10H16O
Molecular Mass:
152.24 g/mol
Names and Synonyms:
2-Cyclopentylcyclopentanone
[1,1′-Bicyclopentyl]-2-one
[Bicyclopentyl]-2-one
Cyclopentanone, 2-cyclopentyl-
[1,1′-Bicyclopentan]-2-one
2-Cyclopentylcyclopentanone
2-Cyclopentylcyclopentan-1-one
Identifiers:
SMILES:
O=C1CCCC1C1CCCC1
InChI:
InChI=1S/C10H16O/c11-10-7-3-6-9(10)8-4-1-2-5-8/h8-9H,1-7H2
Key Properties
Boiling Point
232.5 °C
CAS Common Chemistry
Melting Point
-13 °C
CAS Common Chemistry
Density
0.99 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 152.24 g/mol | CAS Common Chemistry |
| 152.23699999999997 g/mol | RDKit | |
| 152.120115132 g/mol | RDKit | |
| Density | 0.99 g/cm³ | CAS Common Chemistry |
| 0.985 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 232.5 °C | CAS Common Chemistry |
| Canonical SMILES | O=C1CCCC1C2CCCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H16O/c11-10-7-3-6-9(10)8-4-1-2-5-8/h8-9H,1-7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=CWZGKTMWPFTJCS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -13 °C | CAS Common Chemistry |
| Name | 2-Cyclopentylcyclopentanone | 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 | 2.5458000000000007 | RDKit |
| Molar Refractivity | 44.30600000000002 | RDKit |
