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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Related Compounds

2-(Trimethylsiloxy)-1,3-cyclohexadiene
CID 4095656
Silane, [(4,4-dimethyl-1,5-cyclohexadien-1-yl)oxy]trimethyl-
CID 10035591
Tert-butyl-dimethyl-(2-methylcyclohexa-1,5-dien-1-yl)oxysilane
CID 11064098
Cyclohexa-1,3-dien-1-yloxy(triethyl)silane
CID 164669333
Tert-butyl-cyclohexa-1,5-dien-1-yloxy-dimethylsilane
CID 11042035
Silane, trimethyl[(5-methyl-1,5-cyclohexadien-1-yl)oxy]-
CID 11229158
Cyclopenta-1,4-dien-1-yloxy(triethyl)silane
CID 11424142
Tert-butyl-dimethyl-(5-methylcyclohexa-1,5-dien-1-yl)oxysilane
CID 13499167
Tert-butyl-cyclohexa-1,3-dien-1-yloxy-dimethylsilane
CID 86214154
tert-butyl-[(2E,4Z)-5,6,6,7,7,8,8,9,9,10,10,10-dodecafluorodeca-2,4-dien-4-yl]oxy-dimethylsilane
CID 14968255
tert-butyl-[(4E,6Z)-7,8,8,9,9,10,10,11,11,12,12,12-dodecafluorododeca-4,6-dien-6-yl]oxy-dimethylsilane
CID 14968256
Tert-butyl-[3-(difluoromethyl)cyclohexa-1,5-dien-1-yl]oxy-dimethylsilane
CID 141281893

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).