About (2S)-but-3-ene-1,2-diol
(2S)-but-3-ene-1,2-diol (PubChem CID 6999958) has the molecular formula C4H8O2
and a molecular weight of 88.11 g/mol. Its IUPAC name is (2S)-but-3-ene-1,2-diol.
Molecular Properties
| Compound Name | (2S)-but-3-ene-1,2-diol |
|---|
| PubChem CID | 6999958 |
|---|
| Molecular Formula | C4H8O2 |
|---|
| Molecular Weight | 88.11 g/mol |
|---|
| Exact Mass | 88.05 |
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| IUPAC Name | (2S)-but-3-ene-1,2-diol |
|---|
| SMILES | C=C[C@H](O)CO |
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| InChI | InChI=1S/C4H8O2/c1-2-4(6)3-5/h2,4-6H,1,3H2/t4-/m0/s1 |
|---|
| InChIKey | ITMIAZBRRZANGB-BYPYZUCNSA-N |
|---|
| XLogP | -0.47 |
|---|
| TPSA | 40.46 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 6 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 88.11 |
| LogP ≤ 5 | -0.47 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
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 (2S)-but-3-ene-1,2-diol?
The IUPAC name of (2S)-but-3-ene-1,2-diol (CID 6999958) is (2S)-but-3-ene-1,2-diol.
What is the SMILES notation for (2S)-but-3-ene-1,2-diol?
The canonical SMILES for (2S)-but-3-ene-1,2-diol is C=C[C@H](O)CO.
What is the InChIKey of (2S)-but-3-ene-1,2-diol?
The InChIKey is ITMIAZBRRZANGB-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H8O2/c1-2-4(6)3-5/h2,4-6H,1,3H2/t4-/m0/s1.
What are the key properties of (2S)-but-3-ene-1,2-diol?
(2S)-but-3-ene-1,2-diol has a molecular weight of 88.11 g/mol, XLogP of -0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-but-3-ene-1,2-diol is sourced from PubChem (CID 6999958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).