tert-butyl-[(3E)-4-methoxybuta-1,3-dien-2-yl]oxy-dimethylsilane

C11H22O2Si — CID 6000481

IUPACtert-butyl-[(3E)-4-methoxybuta-1,3-dien-2-yl]oxy-dimethylsilane
SMILESC=C(/C=C/OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O2Si/c1-10(8-9-12-5)13-14(6,7)11(2,3)4/h8-9H,1H2,2-7H3/b9-8+
InChIKeyZFQOHWZWPLWDDF-CMDGGOBGSA-N
MW214.38 g/mol
LogP3.68
Rot. Bonds4

About tert-butyl-[(3E)-4-methoxybuta-1,3-dien-2-yl]oxy-dimethylsilane

tert-butyl-[(3E)-4-methoxybuta-1,3-dien-2-yl]oxy-dimethylsilane (PubChem CID 6000481) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is tert-butyl-[(3E)-4-methoxybuta-1,3-dien-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3E)-4-methoxybuta-1,3-dien-2-yl]oxy-dimethylsilane
PubChem CID6000481
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Nametert-butyl-[(3E)-4-methoxybuta-1,3-dien-2-yl]oxy-dimethylsilane
SMILESC=C(/C=C/OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O2Si/c1-10(8-9-12-5)13-14(6,7)11(2,3)4/h8-9H,1H2,2-7H3/b9-8+
InChIKeyZFQOHWZWPLWDDF-CMDGGOBGSA-N
XLogP3.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 53.68
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-[(3E)-4-methoxybuta-1,3-dien-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3E)-4-methoxybuta-1,3-dien-2-yl]oxy-dimethylsilane (CID 6000481) is tert-butyl-[(3E)-4-methoxybuta-1,3-dien-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3E)-4-methoxybuta-1,3-dien-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3E)-4-methoxybuta-1,3-dien-2-yl]oxy-dimethylsilane is C=C(/C=C/OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3E)-4-methoxybuta-1,3-dien-2-yl]oxy-dimethylsilane?
The InChIKey is ZFQOHWZWPLWDDF-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-10(8-9-12-5)13-14(6,7)11(2,3)4/h8-9H,1H2,2-7H3/b9-8+.
What are the key properties of tert-butyl-[(3E)-4-methoxybuta-1,3-dien-2-yl]oxy-dimethylsilane?
tert-butyl-[(3E)-4-methoxybuta-1,3-dien-2-yl]oxy-dimethylsilane has a molecular weight of 214.38 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3E)-4-methoxybuta-1,3-dien-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 6000481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).