About 2-[1-[(3S,4S)-3-hydroxy-4-propan-2-ylcyclopentyl]propan-2-yl]cyclohexan-1-ol
2-[1-[(3S,4S)-3-hydroxy-4-propan-2-ylcyclopentyl]propan-2-yl]cyclohexan-1-ol (PubChem CID 139383930) has the molecular formula C17H32O2
and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-[1-[(3S,4S)-3-hydroxy-4-propan-2-ylcyclopentyl]propan-2-yl]cyclohexan-1-ol.
Molecular Properties
| Compound Name | 2-[1-[(3S,4S)-3-hydroxy-4-propan-2-ylcyclopentyl]propan-2-yl]cyclohexan-1-ol |
| PubChem CID | 139383930 |
| Molecular Formula | C17H32O2 |
| Molecular Weight | 268.44 g/mol |
| Exact Mass | 268.24 |
| IUPAC Name | 2-[1-[(3S,4S)-3-hydroxy-4-propan-2-ylcyclopentyl]propan-2-yl]cyclohexan-1-ol |
| SMILES | CC(CC1C[C@H](O)[C@H](C(C)C)C1)C1CCCCC1O |
| InChI | InChI=1S/C17H32O2/c1-11(2)15-9-13(10-17(15)19)8-12(3)14-6-4-5-7-16(14)18/h11-19H,4-10H2,1-3H3/t12?,13?,14?,15-,16?,17-/m0/s1 |
| InChIKey | SZYOEDMLZFEJMD-SJEIOLMKSA-N |
| XLogP | 3.61 |
| TPSA | 40.46 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 268.44 |
| LogP ≤ 5 | 3.61 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 2-[1-[(3S,4S)-3-hydroxy-4-propan-2-ylcyclopentyl]propan-2-yl]cyclohexan-1-ol?
The IUPAC name of 2-[1-[(3S,4S)-3-hydroxy-4-propan-2-ylcyclopentyl]propan-2-yl]cyclohexan-1-ol (CID 139383930) is 2-[1-[(3S,4S)-3-hydroxy-4-propan-2-ylcyclopentyl]propan-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[1-[(3S,4S)-3-hydroxy-4-propan-2-ylcyclopentyl]propan-2-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[1-[(3S,4S)-3-hydroxy-4-propan-2-ylcyclopentyl]propan-2-yl]cyclohexan-1-ol is CC(CC1C[C@H](O)[C@H](C(C)C)C1)C1CCCCC1O.
What is the InChIKey of 2-[1-[(3S,4S)-3-hydroxy-4-propan-2-ylcyclopentyl]propan-2-yl]cyclohexan-1-ol?
The InChIKey is SZYOEDMLZFEJMD-SJEIOLMKSA-N. The full InChI is InChI=1S/C17H32O2/c1-11(2)15-9-13(10-17(15)19)8-12(3)14-6-4-5-7-16(14)18/h11-19H,4-10H2,1-3H3/t12?,13?,14?,15-,16?,17-/m0/s1.
What are the key properties of 2-[1-[(3S,4S)-3-hydroxy-4-propan-2-ylcyclopentyl]propan-2-yl]cyclohexan-1-ol?
2-[1-[(3S,4S)-3-hydroxy-4-propan-2-ylcyclopentyl]propan-2-yl]cyclohexan-1-ol has a molecular weight of 268.44 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3S,4S)-3-hydroxy-4-propan-2-ylcyclopentyl]propan-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 139383930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).