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

C9H18O2Si — CID 54308306

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

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

(4-methoxy-3-methylbuta-1,3-dien-2-yl)oxy-trimethylsilane (PubChem CID 54308306) has the molecular formula C9H18O2Si and a molecular weight of 186.33 g/mol. Its IUPAC name is (4-methoxy-3-methylbuta-1,3-dien-2-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(4-methoxy-3-methylbuta-1,3-dien-2-yl)oxy-trimethylsilane
PubChem CID54308306
Molecular FormulaC9H18O2Si
Molecular Weight186.33 g/mol
Exact Mass186.11
IUPAC Name(4-methoxy-3-methylbuta-1,3-dien-2-yl)oxy-trimethylsilane
SMILESC=C(O[Si](C)(C)C)C(C)=COC
InChIInChI=1S/C9H18O2Si/c1-8(7-10-3)9(2)11-12(4,5)6/h7H,2H2,1,3-6H3
InChIKeySJCCHURCDFWFLG-UHFFFAOYSA-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 (4-methoxy-3-methylbuta-1,3-dien-2-yl)oxy-trimethylsilane?
The IUPAC name of (4-methoxy-3-methylbuta-1,3-dien-2-yl)oxy-trimethylsilane (CID 54308306) is (4-methoxy-3-methylbuta-1,3-dien-2-yl)oxy-trimethylsilane.
What is the SMILES notation for (4-methoxy-3-methylbuta-1,3-dien-2-yl)oxy-trimethylsilane?
The canonical SMILES for (4-methoxy-3-methylbuta-1,3-dien-2-yl)oxy-trimethylsilane is C=C(O[Si](C)(C)C)C(C)=COC.
What is the InChIKey of (4-methoxy-3-methylbuta-1,3-dien-2-yl)oxy-trimethylsilane?
The InChIKey is SJCCHURCDFWFLG-UHFFFAOYSA-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.
What are the key properties of (4-methoxy-3-methylbuta-1,3-dien-2-yl)oxy-trimethylsilane?
(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 (4-methoxy-3-methylbuta-1,3-dien-2-yl)oxy-trimethylsilane is sourced from PubChem (CID 54308306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).