About cyclotetradecanecarboxylate
cyclotetradecanecarboxylate (PubChem CID 140590492) has the molecular formula C15H27O2-
and a molecular weight of 239.38 g/mol. Its IUPAC name is cyclotetradecanecarboxylate.
Molecular Properties
| Compound Name | cyclotetradecanecarboxylate |
|---|
| PubChem CID | 140590492 |
|---|
| Molecular Formula | C15H27O2- |
|---|
| Molecular Weight | 239.38 g/mol |
|---|
| Exact Mass | 239.20 |
|---|
| IUPAC Name | cyclotetradecanecarboxylate |
|---|
| SMILES | O=C([O-])C1CCCCCCCCCCCCC1 |
|---|
| InChI | InChI=1S/C15H28O2/c16-15(17)14-12-10-8-6-4-2-1-3-5-7-9-11-13-14/h14H,1-13H2,(H,16,17)/p-1 |
|---|
| InChIKey | KNPCBZCDGIOLGI-UHFFFAOYSA-M |
|---|
| XLogP | 3.44 |
|---|
| TPSA | 40.13 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 2 |
|---|
| Rotatable Bonds | 1 |
|---|
| Heavy Atoms | 17 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 239.38 |
| LogP ≤ 5 | 3.44 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of cyclotetradecanecarboxylate?
The IUPAC name of cyclotetradecanecarboxylate (CID 140590492) is cyclotetradecanecarboxylate.
What is the SMILES notation for cyclotetradecanecarboxylate?
The canonical SMILES for cyclotetradecanecarboxylate is O=C([O-])C1CCCCCCCCCCCCC1.
What is the InChIKey of cyclotetradecanecarboxylate?
The InChIKey is KNPCBZCDGIOLGI-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H28O2/c16-15(17)14-12-10-8-6-4-2-1-3-5-7-9-11-13-14/h14H,1-13H2,(H,16,17)/p-1.
What are the key properties of cyclotetradecanecarboxylate?
cyclotetradecanecarboxylate has a molecular weight of 239.38 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclotetradecanecarboxylate is sourced from PubChem (CID 140590492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).