About (3S)-hex-5-en-3-ol
(3S)-hex-5-en-3-ol (PubChem CID 10749148) has the molecular formula C6H12O
and a molecular weight of 100.16 g/mol. Its IUPAC name is (3S)-hex-5-en-3-ol.
Molecular Properties
| Compound Name | (3S)-hex-5-en-3-ol |
|---|
| PubChem CID | 10749148 |
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| Molecular Formula | C6H12O |
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| Molecular Weight | 100.16 g/mol |
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| Exact Mass | 100.09 |
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| IUPAC Name | (3S)-hex-5-en-3-ol |
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| SMILES | C=CC[C@@H](O)CC |
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| InChI | InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3,6-7H,1,4-5H2,2H3/t6-/m0/s1 |
|---|
| InChIKey | UOGFCIYBLKSQHL-LURJTMIESA-N |
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| XLogP | 1.33 |
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| TPSA | 20.23 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | 3 |
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| Heavy Atoms | 7 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 100.16 |
| LogP ≤ 5 | 1.33 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
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 (3S)-hex-5-en-3-ol?
The IUPAC name of (3S)-hex-5-en-3-ol (CID 10749148) is (3S)-hex-5-en-3-ol.
What is the SMILES notation for (3S)-hex-5-en-3-ol?
The canonical SMILES for (3S)-hex-5-en-3-ol is C=CC[C@@H](O)CC.
What is the InChIKey of (3S)-hex-5-en-3-ol?
The InChIKey is UOGFCIYBLKSQHL-LURJTMIESA-N. The full InChI is InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3,6-7H,1,4-5H2,2H3/t6-/m0/s1.
What are the key properties of (3S)-hex-5-en-3-ol?
(3S)-hex-5-en-3-ol has a molecular weight of 100.16 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-hex-5-en-3-ol is sourced from PubChem (CID 10749148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).