tert-butyl-dimethyl-[4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxysilane

C16H30O3Si — CID 12692810

IUPACtert-butyl-dimethyl-[4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxysilane
SMILESCC(C)(C)[Si](C)(C)OC1C=CC(OC2CCCCO2)C1
InChIInChI=1S/C16H30O3Si/c1-16(2,3)20(4,5)19-14-10-9-13(12-14)18-15-8-6-7-11-17-15/h9-10,13-15H,6-8,11-12H2,1-5H3
InChIKeyNFOIASKNSSGQJQ-UHFFFAOYSA-N
MW298.50 g/mol
LogP4.25
Rot. Bonds4

About tert-butyl-dimethyl-[4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxysilane

tert-butyl-dimethyl-[4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxysilane (PubChem CID 12692810) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is tert-butyl-dimethyl-[4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxysilane
PubChem CID12692810
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Nametert-butyl-dimethyl-[4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxysilane
SMILESCC(C)(C)[Si](C)(C)OC1C=CC(OC2CCCCO2)C1
InChIInChI=1S/C16H30O3Si/c1-16(2,3)20(4,5)19-14-10-9-13(12-14)18-15-8-6-7-11-17-15/h9-10,13-15H,6-8,11-12H2,1-5H3
InChIKeyNFOIASKNSSGQJQ-UHFFFAOYSA-N
XLogP4.25
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 tert-butyl-dimethyl-[4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxysilane (CID 12692810) is tert-butyl-dimethyl-[4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxysilane is CC(C)(C)[Si](C)(C)OC1C=CC(OC2CCCCO2)C1.
What is the InChIKey of tert-butyl-dimethyl-[4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxysilane?
The InChIKey is NFOIASKNSSGQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-16(2,3)20(4,5)19-14-10-9-13(12-14)18-15-8-6-7-11-17-15/h9-10,13-15H,6-8,11-12H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-[4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxysilane?
tert-butyl-dimethyl-[4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxysilane has a molecular weight of 298.50 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxysilane is sourced from PubChem (CID 12692810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).