[(1E)-2,3-dimethylbuta-1,3-dienoxy]-trimethylsilane

C9H18OSi — CID 10986710

IUPAC[(1E)-2,3-dimethylbuta-1,3-dienoxy]-trimethylsilane
SMILESC=C(C)/C(C)=C/O[Si](C)(C)C
InChIInChI=1S/C9H18OSi/c1-8(2)9(3)7-10-11(4,5)6/h7H,1H2,2-6H3/b9-7+
InChIKeyOWWNSTXVJYPKLU-VQHVLOKHSA-N
MW170.33 g/mol
LogP3.32
Rot. Bonds3

About [(1E)-2,3-dimethylbuta-1,3-dienoxy]-trimethylsilane

[(1E)-2,3-dimethylbuta-1,3-dienoxy]-trimethylsilane (PubChem CID 10986710) has the molecular formula C9H18OSi and a molecular weight of 170.33 g/mol. Its IUPAC name is [(1E)-2,3-dimethylbuta-1,3-dienoxy]-trimethylsilane.

Molecular Properties

Compound Name[(1E)-2,3-dimethylbuta-1,3-dienoxy]-trimethylsilane
PubChem CID10986710
Molecular FormulaC9H18OSi
Molecular Weight170.33 g/mol
Exact Mass170.11
IUPAC Name[(1E)-2,3-dimethylbuta-1,3-dienoxy]-trimethylsilane
SMILESC=C(C)/C(C)=C/O[Si](C)(C)C
InChIInChI=1S/C9H18OSi/c1-8(2)9(3)7-10-11(4,5)6/h7H,1H2,2-6H3/b9-7+
InChIKeyOWWNSTXVJYPKLU-VQHVLOKHSA-N
XLogP3.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.33
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 [(1E)-2,3-dimethylbuta-1,3-dienoxy]-trimethylsilane?
The IUPAC name of [(1E)-2,3-dimethylbuta-1,3-dienoxy]-trimethylsilane (CID 10986710) is [(1E)-2,3-dimethylbuta-1,3-dienoxy]-trimethylsilane.
What is the SMILES notation for [(1E)-2,3-dimethylbuta-1,3-dienoxy]-trimethylsilane?
The canonical SMILES for [(1E)-2,3-dimethylbuta-1,3-dienoxy]-trimethylsilane is C=C(C)/C(C)=C/O[Si](C)(C)C.
What is the InChIKey of [(1E)-2,3-dimethylbuta-1,3-dienoxy]-trimethylsilane?
The InChIKey is OWWNSTXVJYPKLU-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H18OSi/c1-8(2)9(3)7-10-11(4,5)6/h7H,1H2,2-6H3/b9-7+.
What are the key properties of [(1E)-2,3-dimethylbuta-1,3-dienoxy]-trimethylsilane?
[(1E)-2,3-dimethylbuta-1,3-dienoxy]-trimethylsilane has a molecular weight of 170.33 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-2,3-dimethylbuta-1,3-dienoxy]-trimethylsilane is sourced from PubChem (CID 10986710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).