About cesium [(2R)-2,5-dimethylhex-5-enyl] acetate
cesium [(2R)-2,5-dimethylhex-5-enyl] acetate (PubChem CID 135014545) has the molecular formula C10H17CsO2
and a molecular weight of 302.15 g/mol. Its IUPAC name is cesium [(2R)-2,5-dimethylhex-5-enyl] acetate.
Molecular Properties
| Compound Name | cesium [(2R)-2,5-dimethylhex-5-enyl] acetate |
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| PubChem CID | 135014545 |
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| Molecular Formula | C10H17CsO2 |
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| Molecular Weight | 302.15 g/mol |
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| Exact Mass | 302.03 |
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| IUPAC Name | cesium [(2R)-2,5-dimethylhex-5-enyl] acetate |
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| SMILES | C=C(C)CC[C@@H](C)[CH-]OC(C)=O.[Cs+] |
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| InChI | InChI=1S/C10H17O2.Cs/c1-8(2)5-6-9(3)7-12-10(4)11;/h7,9H,1,5-6H2,2-4H3;/q-1;+1/t9-;/m1./s1 |
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| InChIKey | SNGGBFRZXBJILP-SBSPUUFOSA-N |
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| XLogP | -0.29 |
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| TPSA | 26.30 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 13 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 302.15 |
| LogP ≤ 5 | -0.29 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of cesium [(2R)-2,5-dimethylhex-5-enyl] acetate?
The IUPAC name of cesium [(2R)-2,5-dimethylhex-5-enyl] acetate (CID 135014545) is cesium [(2R)-2,5-dimethylhex-5-enyl] acetate.
What is the SMILES notation for cesium [(2R)-2,5-dimethylhex-5-enyl] acetate?
The canonical SMILES for cesium [(2R)-2,5-dimethylhex-5-enyl] acetate is C=C(C)CC[C@@H](C)[CH-]OC(C)=O.[Cs+].
What is the InChIKey of cesium [(2R)-2,5-dimethylhex-5-enyl] acetate?
The InChIKey is SNGGBFRZXBJILP-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H17O2.Cs/c1-8(2)5-6-9(3)7-12-10(4)11;/h7,9H,1,5-6H2,2-4H3;/q-1;+1/t9-;/m1./s1.
What are the key properties of cesium [(2R)-2,5-dimethylhex-5-enyl] acetate?
cesium [(2R)-2,5-dimethylhex-5-enyl] acetate has a molecular weight of 302.15 g/mol, XLogP of -0.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cesium [(2R)-2,5-dimethylhex-5-enyl] acetate is sourced from PubChem (CID 135014545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).