About (E)-non-3-en-2-ol
(E)-non-3-en-2-ol (PubChem CID 5367540) has the molecular formula C9H18O
and a molecular weight of 142.24 g/mol. Its IUPAC name is (E)-non-3-en-2-ol.
Molecular Properties
| Compound Name | (E)-non-3-en-2-ol |
|---|
| PubChem CID | 5367540 |
|---|
| Molecular Formula | C9H18O |
|---|
| Molecular Weight | 142.24 g/mol |
|---|
| Exact Mass | 142.14 |
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| IUPAC Name | (E)-non-3-en-2-ol |
|---|
| SMILES | CCCCC/C=C/C(C)O |
|---|
| InChI | InChI=1S/C9H18O/c1-3-4-5-6-7-8-9(2)10/h7-10H,3-6H2,1-2H3/b8-7+ |
|---|
| InChIKey | YNVSGIMVJYMXHH-BQYQJAHWSA-N |
|---|
| XLogP | 2.50 |
|---|
| TPSA | 20.23 Ų |
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| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 1 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 10 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 142.24 |
| LogP ≤ 5 | 2.50 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of (E)-non-3-en-2-ol?
The IUPAC name of (E)-non-3-en-2-ol (CID 5367540) is (E)-non-3-en-2-ol.
What is the SMILES notation for (E)-non-3-en-2-ol?
The canonical SMILES for (E)-non-3-en-2-ol is CCCCC/C=C/C(C)O.
What is the InChIKey of (E)-non-3-en-2-ol?
The InChIKey is YNVSGIMVJYMXHH-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H18O/c1-3-4-5-6-7-8-9(2)10/h7-10H,3-6H2,1-2H3/b8-7+.
What are the key properties of (E)-non-3-en-2-ol?
(E)-non-3-en-2-ol has a molecular weight of 142.24 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-non-3-en-2-ol is sourced from PubChem (CID 5367540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).