tert-butyl-dimethyl-[(3E)-4-[(2-methylpropan-2-yl)oxy]buta-1,3-dien-2-yl]oxysilane

C14H28O2Si — CID 101240150

IUPACtert-butyl-dimethyl-[(3E)-4-[(2-methylpropan-2-yl)oxy]buta-1,3-dien-2-yl]oxysilane
SMILESC=C(/C=C/OC(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-12(10-11-15-13(2,3)4)16-17(8,9)14(5,6)7/h10-11H,1H2,2-9H3/b11-10+
InChIKeyQMKWPVNJHHJSGN-ZHACJKMWSA-N
MW256.46 g/mol
LogP4.85
Rot. Bonds4

About tert-butyl-dimethyl-[(3E)-4-[(2-methylpropan-2-yl)oxy]buta-1,3-dien-2-yl]oxysilane

tert-butyl-dimethyl-[(3E)-4-[(2-methylpropan-2-yl)oxy]buta-1,3-dien-2-yl]oxysilane (PubChem CID 101240150) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3E)-4-[(2-methylpropan-2-yl)oxy]buta-1,3-dien-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3E)-4-[(2-methylpropan-2-yl)oxy]buta-1,3-dien-2-yl]oxysilane
PubChem CID101240150
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Nametert-butyl-dimethyl-[(3E)-4-[(2-methylpropan-2-yl)oxy]buta-1,3-dien-2-yl]oxysilane
SMILESC=C(/C=C/OC(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-12(10-11-15-13(2,3)4)16-17(8,9)14(5,6)7/h10-11H,1H2,2-9H3/b11-10+
InChIKeyQMKWPVNJHHJSGN-ZHACJKMWSA-N
XLogP4.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3E)-4-[(2-methylpropan-2-yl)oxy]buta-1,3-dien-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(3E)-4-[(2-methylpropan-2-yl)oxy]buta-1,3-dien-2-yl]oxysilane (CID 101240150) is tert-butyl-dimethyl-[(3E)-4-[(2-methylpropan-2-yl)oxy]buta-1,3-dien-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(3E)-4-[(2-methylpropan-2-yl)oxy]buta-1,3-dien-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(3E)-4-[(2-methylpropan-2-yl)oxy]buta-1,3-dien-2-yl]oxysilane is C=C(/C=C/OC(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(3E)-4-[(2-methylpropan-2-yl)oxy]buta-1,3-dien-2-yl]oxysilane?
The InChIKey is QMKWPVNJHHJSGN-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-12(10-11-15-13(2,3)4)16-17(8,9)14(5,6)7/h10-11H,1H2,2-9H3/b11-10+.
What are the key properties of tert-butyl-dimethyl-[(3E)-4-[(2-methylpropan-2-yl)oxy]buta-1,3-dien-2-yl]oxysilane?
tert-butyl-dimethyl-[(3E)-4-[(2-methylpropan-2-yl)oxy]buta-1,3-dien-2-yl]oxysilane has a molecular weight of 256.46 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3E)-4-[(2-methylpropan-2-yl)oxy]buta-1,3-dien-2-yl]oxysilane is sourced from PubChem (CID 101240150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).