[(3E)-4-methoxy-3-methylbuta-1,3-dien-2-yl]oxy-trimethylsilane

C9H18O2Si — CID 10899374

IUPAC[(3E)-4-methoxy-3-methylbuta-1,3-dien-2-yl]oxy-trimethylsilane
SMILESC=C(O[Si](C)(C)C)/C(C)=C/OC
InChIInChI=1S/C9H18O2Si/c1-8(7-10-3)9(2)11-12(4,5)6/h7H,2H2,1,3-6H3/b8-7+
InChIKeySJCCHURCDFWFLG-BQYQJAHWSA-N
MW186.33 g/mol
LogP2.90
Rot. Bonds4

About [(3E)-4-methoxy-3-methylbuta-1,3-dien-2-yl]oxy-trimethylsilane

[(3E)-4-methoxy-3-methylbuta-1,3-dien-2-yl]oxy-trimethylsilane (PubChem CID 10899374) has the molecular formula C9H18O2Si and a molecular weight of 186.33 g/mol. Its IUPAC name is [(3E)-4-methoxy-3-methylbuta-1,3-dien-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(3E)-4-methoxy-3-methylbuta-1,3-dien-2-yl]oxy-trimethylsilane
PubChem CID10899374
Molecular FormulaC9H18O2Si
Molecular Weight186.33 g/mol
Exact Mass186.11
IUPAC Name[(3E)-4-methoxy-3-methylbuta-1,3-dien-2-yl]oxy-trimethylsilane
SMILESC=C(O[Si](C)(C)C)/C(C)=C/OC
InChIInChI=1S/C9H18O2Si/c1-8(7-10-3)9(2)11-12(4,5)6/h7H,2H2,1,3-6H3/b8-7+
InChIKeySJCCHURCDFWFLG-BQYQJAHWSA-N
XLogP2.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.33
LogP ≤ 52.90
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 [(3E)-4-methoxy-3-methylbuta-1,3-dien-2-yl]oxy-trimethylsilane?
The IUPAC name of [(3E)-4-methoxy-3-methylbuta-1,3-dien-2-yl]oxy-trimethylsilane (CID 10899374) is [(3E)-4-methoxy-3-methylbuta-1,3-dien-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [(3E)-4-methoxy-3-methylbuta-1,3-dien-2-yl]oxy-trimethylsilane?
The canonical SMILES for [(3E)-4-methoxy-3-methylbuta-1,3-dien-2-yl]oxy-trimethylsilane is C=C(O[Si](C)(C)C)/C(C)=C/OC.
What is the InChIKey of [(3E)-4-methoxy-3-methylbuta-1,3-dien-2-yl]oxy-trimethylsilane?
The InChIKey is SJCCHURCDFWFLG-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H18O2Si/c1-8(7-10-3)9(2)11-12(4,5)6/h7H,2H2,1,3-6H3/b8-7+.
What are the key properties of [(3E)-4-methoxy-3-methylbuta-1,3-dien-2-yl]oxy-trimethylsilane?
[(3E)-4-methoxy-3-methylbuta-1,3-dien-2-yl]oxy-trimethylsilane has a molecular weight of 186.33 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-4-methoxy-3-methylbuta-1,3-dien-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 10899374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).