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

C13H24OSi — CID 13499167

IUPACtert-butyl-dimethyl-(5-methylcyclohexa-1,5-dien-1-yl)oxysilane
SMILESCC1=CC(O[Si](C)(C)C(C)(C)C)=CCC1
InChIInChI=1S/C13H24OSi/c1-11-8-7-9-12(10-11)14-15(5,6)13(2,3)4/h9-10H,7-8H2,1-6H3
InChIKeyREPDJHRBKUCIPJ-UHFFFAOYSA-N
MW224.42 g/mol
LogP4.63
Rot. Bonds2

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

tert-butyl-dimethyl-(5-methylcyclohexa-1,5-dien-1-yl)oxysilane (PubChem CID 13499167) has the molecular formula C13H24OSi and a molecular weight of 224.42 g/mol. Its IUPAC name is tert-butyl-dimethyl-(5-methylcyclohexa-1,5-dien-1-yl)oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(5-methylcyclohexa-1,5-dien-1-yl)oxysilane
PubChem CID13499167
Molecular FormulaC13H24OSi
Molecular Weight224.42 g/mol
Exact Mass224.16
IUPAC Nametert-butyl-dimethyl-(5-methylcyclohexa-1,5-dien-1-yl)oxysilane
SMILESCC1=CC(O[Si](C)(C)C(C)(C)C)=CCC1
InChIInChI=1S/C13H24OSi/c1-11-8-7-9-12(10-11)14-15(5,6)13(2,3)4/h9-10H,7-8H2,1-6H3
InChIKeyREPDJHRBKUCIPJ-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
Silane, [[1-(1-cyclohexen-1-yl)ethenyl]oxy](1,1-dimethylethyl)dimethyl-
CID 10955633
Tert-butyl-dimethyl-(2-methylcyclohexa-1,5-dien-1-yl)oxysilane
CID 11064098
(R)-trimethyl((6-methyl-3-(prop-1-en-2-yl)cyclohexa-1,5-dien-1-yl)oxy)silane
CID 13360372
Ctk0J4668
CID 11106001
Silane, trimethyl[(5-methyl-1,5-cyclohexadien-1-yl)oxy]-
CID 11229158
Tert-butyl-dimethyl-(4-methylcyclohexa-1,4-dien-1-yl)oxysilane
CID 14758509
Tert-butyl-cyclohexa-1,3-dien-1-yloxy-dimethylsilane
CID 86214154
6-[(E)-but-2-en-2-yl]-2,2,5-trimethyl-3,6-dihydrooxasiline
CID 135063549
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(5-methylcyclohexa-1,5-dien-1-yl)oxysilane?
The IUPAC name of tert-butyl-dimethyl-(5-methylcyclohexa-1,5-dien-1-yl)oxysilane (CID 13499167) is tert-butyl-dimethyl-(5-methylcyclohexa-1,5-dien-1-yl)oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-(5-methylcyclohexa-1,5-dien-1-yl)oxysilane?
The canonical SMILES for tert-butyl-dimethyl-(5-methylcyclohexa-1,5-dien-1-yl)oxysilane is CC1=CC(O[Si](C)(C)C(C)(C)C)=CCC1.
What is the InChIKey of tert-butyl-dimethyl-(5-methylcyclohexa-1,5-dien-1-yl)oxysilane?
The InChIKey is REPDJHRBKUCIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24OSi/c1-11-8-7-9-12(10-11)14-15(5,6)13(2,3)4/h9-10H,7-8H2,1-6H3.
What are the key properties of tert-butyl-dimethyl-(5-methylcyclohexa-1,5-dien-1-yl)oxysilane?
tert-butyl-dimethyl-(5-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-(5-methylcyclohexa-1,5-dien-1-yl)oxysilane is sourced from PubChem (CID 13499167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).