About CID 102129804
CID 102129804 (PubChem CID 102129804) has the molecular formula C12H17O2
and a molecular weight of 193.27 g/mol.
Molecular Properties
| Compound Name | CID 102129804 |
|---|
| PubChem CID | 102129804 |
|---|
| Molecular Formula | C12H17O2 |
|---|
| Molecular Weight | 193.27 g/mol |
|---|
| Exact Mass | 193.12 |
|---|
| IUPAC Name | — |
|---|
| SMILES | C1COC2(O1)[C@@H]1C[C]3CC(C1)C[C@@H]2C3 |
|---|
| InChI | InChI=1S/C12H17O2/c1-2-14-12(13-1)10-4-8-3-9(6-10)7-11(12)5-8/h8,10-11H,1-7H2/t8?,10-,11+ |
|---|
| InChIKey | LETWWWBMUWGLKZ-UQPYNNQESA-N |
|---|
| XLogP | 2.14 |
|---|
| TPSA | 18.46 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 2 |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 14 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 193.27 |
| LogP ≤ 5 | 2.14 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of CID 102129804?
The IUPAC name of CID 102129804 (CID 102129804) is not available.
What is the SMILES notation for CID 102129804?
The canonical SMILES for CID 102129804 is C1COC2(O1)[C@@H]1C[C]3CC(C1)C[C@@H]2C3.
What is the InChIKey of CID 102129804?
The InChIKey is LETWWWBMUWGLKZ-UQPYNNQESA-N. The full InChI is InChI=1S/C12H17O2/c1-2-14-12(13-1)10-4-8-3-9(6-10)7-11(12)5-8/h8,10-11H,1-7H2/t8?,10-,11+.
What are the key properties of CID 102129804?
CID 102129804 has a molecular weight of 193.27 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102129804 is sourced from PubChem (CID 102129804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).