About 11-methyltetradec-13-enyl acetate
11-methyltetradec-13-enyl acetate (PubChem CID 557491) has the molecular formula C17H32O2
and a molecular weight of 268.44 g/mol. Its IUPAC name is 11-methyltetradec-13-enyl acetate.
Molecular Properties
| Compound Name | 11-methyltetradec-13-enyl acetate |
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| PubChem CID | 557491 |
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| Molecular Formula | C17H32O2 |
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| Molecular Weight | 268.44 g/mol |
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| Exact Mass | 268.24 |
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| IUPAC Name | 11-methyltetradec-13-enyl acetate |
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| SMILES | C=CCC(C)CCCCCCCCCCOC(C)=O |
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| InChI | InChI=1S/C17H32O2/c1-4-13-16(2)14-11-9-7-5-6-8-10-12-15-19-17(3)18/h4,16H,1,5-15H2,2-3H3 |
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| InChIKey | GTESKBHOMHJQRR-UHFFFAOYSA-N |
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| XLogP | 5.27 |
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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 | 13 |
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| Heavy Atoms | 19 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 268.44 |
| LogP ≤ 5 | 5.27 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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 11-methyltetradec-13-enyl acetate?
The IUPAC name of 11-methyltetradec-13-enyl acetate (CID 557491) is 11-methyltetradec-13-enyl acetate.
What is the SMILES notation for 11-methyltetradec-13-enyl acetate?
The canonical SMILES for 11-methyltetradec-13-enyl acetate is C=CCC(C)CCCCCCCCCCOC(C)=O.
What is the InChIKey of 11-methyltetradec-13-enyl acetate?
The InChIKey is GTESKBHOMHJQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-4-13-16(2)14-11-9-7-5-6-8-10-12-15-19-17(3)18/h4,16H,1,5-15H2,2-3H3.
What are the key properties of 11-methyltetradec-13-enyl acetate?
11-methyltetradec-13-enyl acetate has a molecular weight of 268.44 g/mol, XLogP of 5.27, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyltetradec-13-enyl acetate is sourced from PubChem (CID 557491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).