About triethyl-[(4-prop-1-en-2-ylcyclohexylidene)methoxy]silane
triethyl-[(4-prop-1-en-2-ylcyclohexylidene)methoxy]silane (PubChem CID 67525849) has the molecular formula C16H30OSi
and a molecular weight of 266.50 g/mol. Its IUPAC name is triethyl-[(4-prop-1-en-2-ylcyclohexylidene)methoxy]silane.
Molecular Properties
| Compound Name | triethyl-[(4-prop-1-en-2-ylcyclohexylidene)methoxy]silane |
| PubChem CID | 67525849 |
| Molecular Formula | C16H30OSi |
| Molecular Weight | 266.50 g/mol |
| Exact Mass | 266.21 |
| IUPAC Name | triethyl-[(4-prop-1-en-2-ylcyclohexylidene)methoxy]silane |
| SMILES | C=C(C)C1CCC(=CO[Si](CC)(CC)CC)CC1 |
| InChI | InChI=1S/C16H30OSi/c1-6-18(7-2,8-3)17-13-15-9-11-16(12-10-15)14(4)5/h13,16H,4,6-12H2,1-3,5H3/b15-13- |
| InChIKey | AGESKODMFLEBFN-SQFISAMPSA-N |
| XLogP | 5.66 |
| TPSA | 9.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 266.50 |
| LogP ≤ 5 | 5.66 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of triethyl-[(4-prop-1-en-2-ylcyclohexylidene)methoxy]silane?
The IUPAC name of triethyl-[(4-prop-1-en-2-ylcyclohexylidene)methoxy]silane (CID 67525849) is triethyl-[(4-prop-1-en-2-ylcyclohexylidene)methoxy]silane.
What is the SMILES notation for triethyl-[(4-prop-1-en-2-ylcyclohexylidene)methoxy]silane?
The canonical SMILES for triethyl-[(4-prop-1-en-2-ylcyclohexylidene)methoxy]silane is C=C(C)C1CCC(=CO[Si](CC)(CC)CC)CC1.
What is the InChIKey of triethyl-[(4-prop-1-en-2-ylcyclohexylidene)methoxy]silane?
The InChIKey is AGESKODMFLEBFN-SQFISAMPSA-N. The full InChI is InChI=1S/C16H30OSi/c1-6-18(7-2,8-3)17-13-15-9-11-16(12-10-15)14(4)5/h13,16H,4,6-12H2,1-3,5H3/b15-13-.
What are the key properties of triethyl-[(4-prop-1-en-2-ylcyclohexylidene)methoxy]silane?
triethyl-[(4-prop-1-en-2-ylcyclohexylidene)methoxy]silane has a molecular weight of 266.50 g/mol, XLogP of 5.66, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(4-prop-1-en-2-ylcyclohexylidene)methoxy]silane is sourced from PubChem (CID 67525849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).