About di(cyclohexen-1-yloxy)-di(propan-2-yl)silane
di(cyclohexen-1-yloxy)-di(propan-2-yl)silane (PubChem CID 102033082) has the molecular formula C18H32O2Si
and a molecular weight of 308.54 g/mol. Its IUPAC name is di(cyclohexen-1-yloxy)-di(propan-2-yl)silane.
Molecular Properties
| Compound Name | di(cyclohexen-1-yloxy)-di(propan-2-yl)silane |
| PubChem CID | 102033082 |
| Molecular Formula | C18H32O2Si |
| Molecular Weight | 308.54 g/mol |
| Exact Mass | 308.22 |
| IUPAC Name | di(cyclohexen-1-yloxy)-di(propan-2-yl)silane |
| SMILES | CC(C)[Si](OC1=CCCCC1)(OC1=CCCCC1)C(C)C |
| InChI | InChI=1S/C18H32O2Si/c1-15(2)21(16(3)4,19-17-11-7-5-8-12-17)20-18-13-9-6-10-14-18/h11,13,15-16H,5-10,12,14H2,1-4H3 |
| InChIKey | BNDFZVSYVJPQHP-UHFFFAOYSA-N |
| XLogP | 6.20 |
| TPSA | 18.46 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 21 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 308.54 |
| LogP ≤ 5 | 6.20 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of di(cyclohexen-1-yloxy)-di(propan-2-yl)silane?
The IUPAC name of di(cyclohexen-1-yloxy)-di(propan-2-yl)silane (CID 102033082) is di(cyclohexen-1-yloxy)-di(propan-2-yl)silane.
What is the SMILES notation for di(cyclohexen-1-yloxy)-di(propan-2-yl)silane?
The canonical SMILES for di(cyclohexen-1-yloxy)-di(propan-2-yl)silane is CC(C)[Si](OC1=CCCCC1)(OC1=CCCCC1)C(C)C.
What is the InChIKey of di(cyclohexen-1-yloxy)-di(propan-2-yl)silane?
The InChIKey is BNDFZVSYVJPQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2Si/c1-15(2)21(16(3)4,19-17-11-7-5-8-12-17)20-18-13-9-6-10-14-18/h11,13,15-16H,5-10,12,14H2,1-4H3.
What are the key properties of di(cyclohexen-1-yloxy)-di(propan-2-yl)silane?
di(cyclohexen-1-yloxy)-di(propan-2-yl)silane has a molecular weight of 308.54 g/mol, XLogP of 6.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for di(cyclohexen-1-yloxy)-di(propan-2-yl)silane is sourced from PubChem (CID 102033082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).