tert-butyl-dimethyl-(2-methylcyclohexa-1,5-dien-1-yl)oxysilane

C13H24OSi — CID 11064098

IUPACtert-butyl-dimethyl-(2-methylcyclohexa-1,5-dien-1-yl)oxysilane
SMILESCC1=C(O[Si](C)(C)C(C)(C)C)C=CCC1
InChIInChI=1S/C13H24OSi/c1-11-9-7-8-10-12(11)14-15(5,6)13(2,3)4/h8,10H,7,9H2,1-6H3
InChIKeyIOMRGFXBHPPQBB-UHFFFAOYSA-N
MW224.42 g/mol
LogP4.63
Rot. Bonds2

About tert-butyl-dimethyl-(2-methylcyclohexa-1,5-dien-1-yl)oxysilane

tert-butyl-dimethyl-(2-methylcyclohexa-1,5-dien-1-yl)oxysilane (PubChem CID 11064098) has the molecular formula C13H24OSi and a molecular weight of 224.42 g/mol. Its IUPAC name is tert-butyl-dimethyl-(2-methylcyclohexa-1,5-dien-1-yl)oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(2-methylcyclohexa-1,5-dien-1-yl)oxysilane
PubChem CID11064098
Molecular FormulaC13H24OSi
Molecular Weight224.42 g/mol
Exact Mass224.16
IUPAC Nametert-butyl-dimethyl-(2-methylcyclohexa-1,5-dien-1-yl)oxysilane
SMILESCC1=C(O[Si](C)(C)C(C)(C)C)C=CCC1
InChIInChI=1S/C13H24OSi/c1-11-9-7-8-10-12(11)14-15(5,6)13(2,3)4/h8,10H,7,9H2,1-6H3
InChIKeyIOMRGFXBHPPQBB-UHFFFAOYSA-N
XLogP4.63
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 ≤ 54.63
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
(E)-trimethyl(nona-1,3-dien-2-yloxy)silane
CID 86668734
(R)-trimethyl((6-methyl-3-(prop-1-en-2-yl)cyclohexa-1,5-dien-1-yl)oxy)silane
CID 13360372
Cyclohexa-1,3-dien-1-yloxy(triethyl)silane
CID 164669333
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-(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
Tert-butyl-(2-fluoro-3-methylcyclohexa-1,5-dien-1-yl)oxy-dimethylsilane
CID 173932547
Cyclohepta-1,6-dien-1-yloxy(trimethyl)silane
CID 13308700

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(2-methylcyclohexa-1,5-dien-1-yl)oxysilane?
The IUPAC name of tert-butyl-dimethyl-(2-methylcyclohexa-1,5-dien-1-yl)oxysilane (CID 11064098) is tert-butyl-dimethyl-(2-methylcyclohexa-1,5-dien-1-yl)oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-(2-methylcyclohexa-1,5-dien-1-yl)oxysilane?
The canonical SMILES for tert-butyl-dimethyl-(2-methylcyclohexa-1,5-dien-1-yl)oxysilane is CC1=C(O[Si](C)(C)C(C)(C)C)C=CCC1.
What is the InChIKey of tert-butyl-dimethyl-(2-methylcyclohexa-1,5-dien-1-yl)oxysilane?
The InChIKey is IOMRGFXBHPPQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24OSi/c1-11-9-7-8-10-12(11)14-15(5,6)13(2,3)4/h8,10H,7,9H2,1-6H3.
What are the key properties of tert-butyl-dimethyl-(2-methylcyclohexa-1,5-dien-1-yl)oxysilane?
tert-butyl-dimethyl-(2-methylcyclohexa-1,5-dien-1-yl)oxysilane has a molecular weight of 224.42 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(2-methylcyclohexa-1,5-dien-1-yl)oxysilane is sourced from PubChem (CID 11064098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).