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

C15H30OSi — CID 56594804

IUPAC[(1E)-2,3-dimethylbuta-1,3-dienoxy]-tri(propan-2-yl)silane
SMILESC=C(C)/C(C)=C/O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H30OSi/c1-11(2)15(9)10-16-17(12(3)4,13(5)6)14(7)8/h10,12-14H,1H2,2-9H3/b15-10+
InChIKeyGBKRJVNDLTYQPF-XNTDXEJSSA-N
MW254.49 g/mol
LogP5.66
Rot. Bonds6

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

[(1E)-2,3-dimethylbuta-1,3-dienoxy]-tri(propan-2-yl)silane (PubChem CID 56594804) has the molecular formula C15H30OSi and a molecular weight of 254.49 g/mol. Its IUPAC name is [(1E)-2,3-dimethylbuta-1,3-dienoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(1E)-2,3-dimethylbuta-1,3-dienoxy]-tri(propan-2-yl)silane
PubChem CID56594804
Molecular FormulaC15H30OSi
Molecular Weight254.49 g/mol
Exact Mass254.21
IUPAC Name[(1E)-2,3-dimethylbuta-1,3-dienoxy]-tri(propan-2-yl)silane
SMILESC=C(C)/C(C)=C/O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H30OSi/c1-11(2)15(9)10-16-17(12(3)4,13(5)6)14(7)8/h10,12-14H,1H2,2-9H3/b15-10+
InChIKeyGBKRJVNDLTYQPF-XNTDXEJSSA-N
XLogP5.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.49
LogP ≤ 55.66
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]-tri(propan-2-yl)silane?
The IUPAC name of [(1E)-2,3-dimethylbuta-1,3-dienoxy]-tri(propan-2-yl)silane (CID 56594804) is [(1E)-2,3-dimethylbuta-1,3-dienoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(1E)-2,3-dimethylbuta-1,3-dienoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(1E)-2,3-dimethylbuta-1,3-dienoxy]-tri(propan-2-yl)silane is C=C(C)/C(C)=C/O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(1E)-2,3-dimethylbuta-1,3-dienoxy]-tri(propan-2-yl)silane?
The InChIKey is GBKRJVNDLTYQPF-XNTDXEJSSA-N. The full InChI is InChI=1S/C15H30OSi/c1-11(2)15(9)10-16-17(12(3)4,13(5)6)14(7)8/h10,12-14H,1H2,2-9H3/b15-10+.
What are the key properties of [(1E)-2,3-dimethylbuta-1,3-dienoxy]-tri(propan-2-yl)silane?
[(1E)-2,3-dimethylbuta-1,3-dienoxy]-tri(propan-2-yl)silane has a molecular weight of 254.49 g/mol, XLogP of 5.66, 6 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]-tri(propan-2-yl)silane is sourced from PubChem (CID 56594804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).