About (Z)-pentadec-6-en-9-yne
(Z)-pentadec-6-en-9-yne (PubChem CID 10703505) has the molecular formula C15H26
and a molecular weight of 206.37 g/mol. Its IUPAC name is (Z)-pentadec-6-en-9-yne.
Molecular Properties
| Compound Name | (Z)-pentadec-6-en-9-yne |
| PubChem CID | 10703505 |
| Molecular Formula | C15H26 |
| Molecular Weight | 206.37 g/mol |
| Exact Mass | 206.20 |
| IUPAC Name | (Z)-pentadec-6-en-9-yne |
| SMILES | CCCCCC#CC/C=C\CCCCC |
| InChI | InChI=1S/C15H26/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h11,13H,3-10,15H2,1-2H3/b13-11- |
| InChIKey | BEJCBUUNLJCGCW-QBFSEMIESA-N |
| XLogP | 5.10 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 8 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 206.37 |
| LogP ≤ 5 | 5.10 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (Z)-pentadec-6-en-9-yne?
The IUPAC name of (Z)-pentadec-6-en-9-yne (CID 10703505) is (Z)-pentadec-6-en-9-yne.
What is the SMILES notation for (Z)-pentadec-6-en-9-yne?
The canonical SMILES for (Z)-pentadec-6-en-9-yne is CCCCCC#CC/C=C\CCCCC.
What is the InChIKey of (Z)-pentadec-6-en-9-yne?
The InChIKey is BEJCBUUNLJCGCW-QBFSEMIESA-N. The full InChI is InChI=1S/C15H26/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h11,13H,3-10,15H2,1-2H3/b13-11-.
What are the key properties of (Z)-pentadec-6-en-9-yne?
(Z)-pentadec-6-en-9-yne has a molecular weight of 206.37 g/mol, XLogP of 5.10, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-pentadec-6-en-9-yne is sourced from PubChem (CID 10703505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).