About CID 59269701
CID 59269701 (PubChem CID 59269701) has the molecular formula C9H14
and a molecular weight of 122.21 g/mol.
Molecular Properties
| Compound Name | CID 59269701 |
|---|
| PubChem CID | 59269701 |
|---|
| Molecular Formula | C9H14 |
|---|
| Molecular Weight | 122.21 g/mol |
|---|
| Exact Mass | 122.11 |
|---|
| IUPAC Name | — |
|---|
| SMILES | [CH]CCC1CC=CCC1 |
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| InChI | InChI=1S/C9H14/c1-2-6-9-7-4-3-5-8-9/h1,3-4,9H,2,5-8H2 |
|---|
| InChIKey | QLNZGVAUCDQHQD-UHFFFAOYSA-N |
|---|
| XLogP | 2.83 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 9 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 122.21 |
| LogP ≤ 5 | 2.83 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of CID 59269701?
The IUPAC name of CID 59269701 (CID 59269701) is not available.
What is the SMILES notation for CID 59269701?
The canonical SMILES for CID 59269701 is [CH]CCC1CC=CCC1.
What is the InChIKey of CID 59269701?
The InChIKey is QLNZGVAUCDQHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-2-6-9-7-4-3-5-8-9/h1,3-4,9H,2,5-8H2.
What are the key properties of CID 59269701?
CID 59269701 has a molecular weight of 122.21 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269701 is sourced from PubChem (CID 59269701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).