tert-butyl-(2-fluorocyclohexa-1,5-dien-1-yl)oxy-dimethylsilane

C12H21FOSi — CID 173469565

IUPACtert-butyl-(2-fluorocyclohexa-1,5-dien-1-yl)oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1=C(F)CCC=C1
InChIInChI=1S/C12H21FOSi/c1-12(2,3)15(4,5)14-11-9-7-6-8-10(11)13/h7,9H,6,8H2,1-5H3
InChIKeyJKMZFFKDBRLFDX-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.54
Rot. Bonds2

About tert-butyl-(2-fluorocyclohexa-1,5-dien-1-yl)oxy-dimethylsilane

tert-butyl-(2-fluorocyclohexa-1,5-dien-1-yl)oxy-dimethylsilane (PubChem CID 173469565) has the molecular formula C12H21FOSi and a molecular weight of 228.38 g/mol. Its IUPAC name is tert-butyl-(2-fluorocyclohexa-1,5-dien-1-yl)oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(2-fluorocyclohexa-1,5-dien-1-yl)oxy-dimethylsilane
PubChem CID173469565
Molecular FormulaC12H21FOSi
Molecular Weight228.38 g/mol
Exact Mass228.13
IUPAC Nametert-butyl-(2-fluorocyclohexa-1,5-dien-1-yl)oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1=C(F)CCC=C1
InChIInChI=1S/C12H21FOSi/c1-12(2,3)15(4,5)14-11-9-7-6-8-10(11)13/h7,9H,6,8H2,1-5H3
InChIKeyJKMZFFKDBRLFDX-UHFFFAOYSA-N
XLogP4.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(2-fluorocyclohexa-1,5-dien-1-yl)oxy-dimethylsilane?
The IUPAC name of tert-butyl-(2-fluorocyclohexa-1,5-dien-1-yl)oxy-dimethylsilane (CID 173469565) is tert-butyl-(2-fluorocyclohexa-1,5-dien-1-yl)oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-(2-fluorocyclohexa-1,5-dien-1-yl)oxy-dimethylsilane?
The canonical SMILES for tert-butyl-(2-fluorocyclohexa-1,5-dien-1-yl)oxy-dimethylsilane is CC(C)(C)[Si](C)(C)OC1=C(F)CCC=C1.
What is the InChIKey of tert-butyl-(2-fluorocyclohexa-1,5-dien-1-yl)oxy-dimethylsilane?
The InChIKey is JKMZFFKDBRLFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FOSi/c1-12(2,3)15(4,5)14-11-9-7-6-8-10(11)13/h7,9H,6,8H2,1-5H3.
What are the key properties of tert-butyl-(2-fluorocyclohexa-1,5-dien-1-yl)oxy-dimethylsilane?
tert-butyl-(2-fluorocyclohexa-1,5-dien-1-yl)oxy-dimethylsilane has a molecular weight of 228.38 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2-fluorocyclohexa-1,5-dien-1-yl)oxy-dimethylsilane is sourced from PubChem (CID 173469565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).