About 1-cyclohexyl-6-propylcyclodecane
1-cyclohexyl-6-propylcyclodecane (PubChem CID 58552139) has the molecular formula C19H36
and a molecular weight of 264.50 g/mol. Its IUPAC name is 1-cyclohexyl-6-propylcyclodecane.
Molecular Properties
| Compound Name | 1-cyclohexyl-6-propylcyclodecane |
| PubChem CID | 58552139 |
| Molecular Formula | C19H36 |
| Molecular Weight | 264.50 g/mol |
| Exact Mass | 264.28 |
| IUPAC Name | 1-cyclohexyl-6-propylcyclodecane |
| SMILES | CCCC1CCCCC(C2CCCCC2)CCCC1 |
| InChI | InChI=1S/C19H36/c1-2-10-17-11-6-8-15-19(16-9-7-12-17)18-13-4-3-5-14-18/h17-19H,2-16H2,1H3 |
| InChIKey | PFJHBQRJKGJRGS-UHFFFAOYSA-N |
| XLogP | 6.73 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 3 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 264.50 |
| LogP ≤ 5 | 6.73 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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Frequently Asked Questions
What is the IUPAC name of 1-cyclohexyl-6-propylcyclodecane?
The IUPAC name of 1-cyclohexyl-6-propylcyclodecane (CID 58552139) is 1-cyclohexyl-6-propylcyclodecane.
What is the SMILES notation for 1-cyclohexyl-6-propylcyclodecane?
The canonical SMILES for 1-cyclohexyl-6-propylcyclodecane is CCCC1CCCCC(C2CCCCC2)CCCC1.
What is the InChIKey of 1-cyclohexyl-6-propylcyclodecane?
The InChIKey is PFJHBQRJKGJRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36/c1-2-10-17-11-6-8-15-19(16-9-7-12-17)18-13-4-3-5-14-18/h17-19H,2-16H2,1H3.
What are the key properties of 1-cyclohexyl-6-propylcyclodecane?
1-cyclohexyl-6-propylcyclodecane has a molecular weight of 264.50 g/mol, XLogP of 6.73, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-6-propylcyclodecane is sourced from PubChem (CID 58552139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).