tert-butyl-cyclohexa-1,3-dien-1-yloxy-dimethylsilane

C12H22OSi — CID 86214154

IUPACtert-butyl-cyclohexa-1,3-dien-1-yloxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1=CC=CCC1
InChIInChI=1S/C12H22OSi/c1-12(2,3)14(4,5)13-11-9-7-6-8-10-11/h6-7,9H,8,10H2,1-5H3
InChIKeySUNZFWXHNZZYKZ-UHFFFAOYSA-N
MW210.39 g/mol
LogP4.24
Rot. Bonds2

About tert-butyl-cyclohexa-1,3-dien-1-yloxy-dimethylsilane

tert-butyl-cyclohexa-1,3-dien-1-yloxy-dimethylsilane (PubChem CID 86214154) has the molecular formula C12H22OSi and a molecular weight of 210.39 g/mol. Its IUPAC name is tert-butyl-cyclohexa-1,3-dien-1-yloxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-cyclohexa-1,3-dien-1-yloxy-dimethylsilane
PubChem CID86214154
Molecular FormulaC12H22OSi
Molecular Weight210.39 g/mol
Exact Mass210.14
IUPAC Nametert-butyl-cyclohexa-1,3-dien-1-yloxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1=CC=CCC1
InChIInChI=1S/C12H22OSi/c1-12(2,3)14(4,5)13-11-9-7-6-8-10-11/h6-7,9H,8,10H2,1-5H3
InChIKeySUNZFWXHNZZYKZ-UHFFFAOYSA-N
XLogP4.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.39
LogP ≤ 54.24
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
Tert-butyl-dimethyl-(2-methylcyclohexa-1,5-dien-1-yl)oxysilane
CID 11064098
Cyclohexa-1,3-dien-1-yloxy(triethyl)silane
CID 164669333
Cyclohexa-1,3-dien-1-yloxy(trimethyl)silane
CID 11008327
Tert-butyl-cyclohexa-1,5-dien-1-yloxy-dimethylsilane
CID 11042035
1,4-Bis(trimethylsilyloxy)-1,3-cyclohexadiene
CID 11821222
Tert-butyl-dimethyl-(5-methylcyclohexa-1,5-dien-1-yl)oxysilane
CID 13499167
Tert-butyl-dimethyl-(4-methylcyclohexa-1,4-dien-1-yl)oxysilane
CID 14758509
Tert-butyl-(2-fluorocyclohexa-1,5-dien-1-yl)oxy-dimethylsilane
CID 173469565
triethyl-[(1Z)-1-(4-fluorocyclohexa-1,5-dien-1-yl)buta-1,3-dien-2-yl]oxysilane
CID 173845499
trimethyl-[(2Z)-4-methylpenta-2,4-dien-2-yl]oxysilane
CID 12670635
Trimethyl-(3-methylcyclohexa-1,5-dien-1-yl)oxysilane
CID 13448214

Frequently Asked Questions

What is the IUPAC name of tert-butyl-cyclohexa-1,3-dien-1-yloxy-dimethylsilane?
The IUPAC name of tert-butyl-cyclohexa-1,3-dien-1-yloxy-dimethylsilane (CID 86214154) is tert-butyl-cyclohexa-1,3-dien-1-yloxy-dimethylsilane.
What is the SMILES notation for tert-butyl-cyclohexa-1,3-dien-1-yloxy-dimethylsilane?
The canonical SMILES for tert-butyl-cyclohexa-1,3-dien-1-yloxy-dimethylsilane is CC(C)(C)[Si](C)(C)OC1=CC=CCC1.
What is the InChIKey of tert-butyl-cyclohexa-1,3-dien-1-yloxy-dimethylsilane?
The InChIKey is SUNZFWXHNZZYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22OSi/c1-12(2,3)14(4,5)13-11-9-7-6-8-10-11/h6-7,9H,8,10H2,1-5H3.
What are the key properties of tert-butyl-cyclohexa-1,3-dien-1-yloxy-dimethylsilane?
tert-butyl-cyclohexa-1,3-dien-1-yloxy-dimethylsilane has a molecular weight of 210.39 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-cyclohexa-1,3-dien-1-yloxy-dimethylsilane is sourced from PubChem (CID 86214154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).