[(1E)-buta-1,3-dienoxy]-tri(propan-2-yl)silane

C13H26OSi — CID 11020608

IUPAC[(1E)-buta-1,3-dienoxy]-tri(propan-2-yl)silane
SMILESC=C/C=C/O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C13H26OSi/c1-8-9-10-14-15(11(2)3,12(4)5)13(6)7/h8-13H,1H2,2-7H3/b10-9+
InChIKeyRJDPWYOAWDLENA-MDZDMXLPSA-N
MW226.44 g/mol
LogP4.88
Rot. Bonds6

About [(1E)-buta-1,3-dienoxy]-tri(propan-2-yl)silane

[(1E)-buta-1,3-dienoxy]-tri(propan-2-yl)silane (PubChem CID 11020608) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is [(1E)-buta-1,3-dienoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(1E)-buta-1,3-dienoxy]-tri(propan-2-yl)silane
PubChem CID11020608
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Name[(1E)-buta-1,3-dienoxy]-tri(propan-2-yl)silane
SMILESC=C/C=C/O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C13H26OSi/c1-8-9-10-14-15(11(2)3,12(4)5)13(6)7/h8-13H,1H2,2-7H3/b10-9+
InChIKeyRJDPWYOAWDLENA-MDZDMXLPSA-N
XLogP4.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.44
LogP ≤ 54.88
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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Related Compounds

Silane, triethoxy-2-propen-1-yl-
CID 75692
Allyloxy-tert-butyldimethylsilane
CID 575346
Diallyldiethoxysilane
CID 259628
Triallylethoxysilane
CID 259630
1-(Trimethylsiloxy)-1,3-butadiene
CID 2724217
1-Triethylsiloxy-1,3-butadiene (cis+trans)
CID 6175546
Silane, diethoxymethyl-2-propen-1-yl-
CID 87620
1-Trimethylsiloxy-1,3-butadiene
CID 5878607
Silane, trimethyl(1-propen-1-yloxy)-
CID 89239
Trimethyl-((1E)-2-methylbuta-1,3-dienoxy)silane
CID 3037370
1-(T-Butyldimethylsiloxy)-1,3-butadiene
CID 53406248
2-Dimethyl(prop-2-enyl)silyloxypropane
CID 554630

Frequently Asked Questions

What is the IUPAC name of [(1E)-buta-1,3-dienoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(1E)-buta-1,3-dienoxy]-tri(propan-2-yl)silane (CID 11020608) is [(1E)-buta-1,3-dienoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(1E)-buta-1,3-dienoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(1E)-buta-1,3-dienoxy]-tri(propan-2-yl)silane is C=C/C=C/O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(1E)-buta-1,3-dienoxy]-tri(propan-2-yl)silane?
The InChIKey is RJDPWYOAWDLENA-MDZDMXLPSA-N. The full InChI is InChI=1S/C13H26OSi/c1-8-9-10-14-15(11(2)3,12(4)5)13(6)7/h8-13H,1H2,2-7H3/b10-9+.
What are the key properties of [(1E)-buta-1,3-dienoxy]-tri(propan-2-yl)silane?
[(1E)-buta-1,3-dienoxy]-tri(propan-2-yl)silane has a molecular weight of 226.44 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-buta-1,3-dienoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 11020608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).