About CID 59046026
CID 59046026 (PubChem CID 59046026) has the molecular formula C14H21O4
and a molecular weight of 253.32 g/mol.
Molecular Properties
| Compound Name | CID 59046026 |
|---|
| PubChem CID | 59046026 |
|---|
| Molecular Formula | C14H21O4 |
|---|
| Molecular Weight | 253.32 g/mol |
|---|
| Exact Mass | 253.14 |
|---|
| IUPAC Name | — |
|---|
| SMILES | CC1C[C@@]2(CC(=O)O)C[CH]C[C@@](CC(=O)O)(C1)C2 |
|---|
| InChI | InChI=1S/C14H21O4/c1-10-5-13(7-11(15)16)3-2-4-14(6-10,9-13)8-12(17)18/h2,10H,3-9H2,1H3,(H,15,16)(H,17,18)/t10?,13-,14+ |
|---|
| InChIKey | NRFZVHNRHFKYRR-FTNCPSPGSA-N |
|---|
| XLogP | 2.73 |
|---|
| TPSA | 74.60 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 2 |
|---|
| Rotatable Bonds | 4 |
|---|
| Heavy Atoms | 18 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 253.32 |
| LogP ≤ 5 | 2.73 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of CID 59046026?
The IUPAC name of CID 59046026 (CID 59046026) is not available.
What is the SMILES notation for CID 59046026?
The canonical SMILES for CID 59046026 is CC1C[C@@]2(CC(=O)O)C[CH]C[C@@](CC(=O)O)(C1)C2.
What is the InChIKey of CID 59046026?
The InChIKey is NRFZVHNRHFKYRR-FTNCPSPGSA-N. The full InChI is InChI=1S/C14H21O4/c1-10-5-13(7-11(15)16)3-2-4-14(6-10,9-13)8-12(17)18/h2,10H,3-9H2,1H3,(H,15,16)(H,17,18)/t10?,13-,14+.
What are the key properties of CID 59046026?
CID 59046026 has a molecular weight of 253.32 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59046026 is sourced from PubChem (CID 59046026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).