About (Z)-1-ethoxypentadec-7-ene
(Z)-1-ethoxypentadec-7-ene (PubChem CID 87516958) has the molecular formula C17H34O
and a molecular weight of 254.46 g/mol. Its IUPAC name is (Z)-1-ethoxypentadec-7-ene.
Molecular Properties
| Compound Name | (Z)-1-ethoxypentadec-7-ene |
| PubChem CID | 87516958 |
| Molecular Formula | C17H34O |
| Molecular Weight | 254.46 g/mol |
| Exact Mass | 254.26 |
| IUPAC Name | (Z)-1-ethoxypentadec-7-ene |
| SMILES | CCCCCCC/C=C\CCCCCCOCC |
| InChI | InChI=1S/C17H34O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-4-2/h10-11H,3-9,12-17H2,1-2H3/b11-10- |
| InChIKey | XZWCLPJRGPKSAI-KHPPLWFESA-N |
| XLogP | 5.89 |
| TPSA | 9.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 254.46 |
| LogP ≤ 5 | 5.89 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
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 (Z)-1-ethoxypentadec-7-ene?
The IUPAC name of (Z)-1-ethoxypentadec-7-ene (CID 87516958) is (Z)-1-ethoxypentadec-7-ene.
What is the SMILES notation for (Z)-1-ethoxypentadec-7-ene?
The canonical SMILES for (Z)-1-ethoxypentadec-7-ene is CCCCCCC/C=C\CCCCCCOCC.
What is the InChIKey of (Z)-1-ethoxypentadec-7-ene?
The InChIKey is XZWCLPJRGPKSAI-KHPPLWFESA-N. The full InChI is InChI=1S/C17H34O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-4-2/h10-11H,3-9,12-17H2,1-2H3/b11-10-.
What are the key properties of (Z)-1-ethoxypentadec-7-ene?
(Z)-1-ethoxypentadec-7-ene has a molecular weight of 254.46 g/mol, XLogP of 5.89, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-ethoxypentadec-7-ene is sourced from PubChem (CID 87516958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).