tert-butyl-cyclohepta-3,5-dien-1-yloxy-dimethylsilane

C13H24OSi — CID 11031513

IUPACtert-butyl-cyclohepta-3,5-dien-1-yloxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CC=CC=CC1
InChIInChI=1S/C13H24OSi/c1-13(2,3)15(4,5)14-12-10-8-6-7-9-11-12/h6-9,12H,10-11H2,1-5H3
InChIKeyVRYZXRPCDLPUPV-UHFFFAOYSA-N
MW224.42 g/mol
LogP4.28
Rot. Bonds2

About tert-butyl-cyclohepta-3,5-dien-1-yloxy-dimethylsilane

tert-butyl-cyclohepta-3,5-dien-1-yloxy-dimethylsilane (PubChem CID 11031513) has the molecular formula C13H24OSi and a molecular weight of 224.42 g/mol. Its IUPAC name is tert-butyl-cyclohepta-3,5-dien-1-yloxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-cyclohepta-3,5-dien-1-yloxy-dimethylsilane
PubChem CID11031513
Molecular FormulaC13H24OSi
Molecular Weight224.42 g/mol
Exact Mass224.16
IUPAC Nametert-butyl-cyclohepta-3,5-dien-1-yloxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CC=CC=CC1
InChIInChI=1S/C13H24OSi/c1-13(2,3)15(4,5)14-12-10-8-6-7-9-11-12/h6-9,12H,10-11H2,1-5H3
InChIKeyVRYZXRPCDLPUPV-UHFFFAOYSA-N
XLogP4.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.42
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-cyclohepta-3,5-dien-1-yloxy-dimethylsilane?
The IUPAC name of tert-butyl-cyclohepta-3,5-dien-1-yloxy-dimethylsilane (CID 11031513) is tert-butyl-cyclohepta-3,5-dien-1-yloxy-dimethylsilane.
What is the SMILES notation for tert-butyl-cyclohepta-3,5-dien-1-yloxy-dimethylsilane?
The canonical SMILES for tert-butyl-cyclohepta-3,5-dien-1-yloxy-dimethylsilane is CC(C)(C)[Si](C)(C)OC1CC=CC=CC1.
What is the InChIKey of tert-butyl-cyclohepta-3,5-dien-1-yloxy-dimethylsilane?
The InChIKey is VRYZXRPCDLPUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24OSi/c1-13(2,3)15(4,5)14-12-10-8-6-7-9-11-12/h6-9,12H,10-11H2,1-5H3.
What are the key properties of tert-butyl-cyclohepta-3,5-dien-1-yloxy-dimethylsilane?
tert-butyl-cyclohepta-3,5-dien-1-yloxy-dimethylsilane has a molecular weight of 224.42 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-cyclohepta-3,5-dien-1-yloxy-dimethylsilane is sourced from PubChem (CID 11031513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).