tert-butyl-dimethyl-(2,3,4,7-tetrahydrooxepin-5-yloxy)silane

C12H24O2Si — CID 166487573

IUPACtert-butyl-dimethyl-(2,3,4,7-tetrahydrooxepin-5-yloxy)silane
SMILESCC(C)(C)[Si](C)(C)OC1=CCOCCC1
InChIInChI=1S/C12H24O2Si/c1-12(2,3)15(4,5)14-11-7-6-9-13-10-8-11/h8H,6-7,9-10H2,1-5H3
InChIKeyFZVSTZBJBPWROK-UHFFFAOYSA-N
MW228.41 g/mol
LogP3.70
Rot. Bonds2

About tert-butyl-dimethyl-(2,3,4,7-tetrahydrooxepin-5-yloxy)silane

tert-butyl-dimethyl-(2,3,4,7-tetrahydrooxepin-5-yloxy)silane (PubChem CID 166487573) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is tert-butyl-dimethyl-(2,3,4,7-tetrahydrooxepin-5-yloxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(2,3,4,7-tetrahydrooxepin-5-yloxy)silane
PubChem CID166487573
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Nametert-butyl-dimethyl-(2,3,4,7-tetrahydrooxepin-5-yloxy)silane
SMILESCC(C)(C)[Si](C)(C)OC1=CCOCCC1
InChIInChI=1S/C12H24O2Si/c1-12(2,3)15(4,5)14-11-7-6-9-13-10-8-11/h8H,6-7,9-10H2,1-5H3
InChIKeyFZVSTZBJBPWROK-UHFFFAOYSA-N
XLogP3.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 tert-butyl-dimethyl-(2,3,4,7-tetrahydrooxepin-5-yloxy)silane?
The IUPAC name of tert-butyl-dimethyl-(2,3,4,7-tetrahydrooxepin-5-yloxy)silane (CID 166487573) is tert-butyl-dimethyl-(2,3,4,7-tetrahydrooxepin-5-yloxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(2,3,4,7-tetrahydrooxepin-5-yloxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(2,3,4,7-tetrahydrooxepin-5-yloxy)silane is CC(C)(C)[Si](C)(C)OC1=CCOCCC1.
What is the InChIKey of tert-butyl-dimethyl-(2,3,4,7-tetrahydrooxepin-5-yloxy)silane?
The InChIKey is FZVSTZBJBPWROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-12(2,3)15(4,5)14-11-7-6-9-13-10-8-11/h8H,6-7,9-10H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-(2,3,4,7-tetrahydrooxepin-5-yloxy)silane?
tert-butyl-dimethyl-(2,3,4,7-tetrahydrooxepin-5-yloxy)silane has a molecular weight of 228.41 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(2,3,4,7-tetrahydrooxepin-5-yloxy)silane is sourced from PubChem (CID 166487573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).