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

C11H22O3Si — CID 11206982

IUPAC[(1Z,3E)-4-ethoxy-1-methoxy-3-methylbuta-1,3-dien-2-yl]oxy-trimethylsilane
SMILESCCO/C=C(C)/C(=C/OC)O[Si](C)(C)C
InChIInChI=1S/C11H22O3Si/c1-7-13-8-10(2)11(9-12-3)14-15(4,5)6/h8-9H,7H2,1-6H3/b10-8+,11-9-
InChIKeyKSOWYQAZRSUHCN-GOOGBFEESA-N
MW230.38 g/mol
LogP3.27
Rot. Bonds6

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

[(1Z,3E)-4-ethoxy-1-methoxy-3-methylbuta-1,3-dien-2-yl]oxy-trimethylsilane (PubChem CID 11206982) has the molecular formula C11H22O3Si and a molecular weight of 230.38 g/mol. Its IUPAC name is [(1Z,3E)-4-ethoxy-1-methoxy-3-methylbuta-1,3-dien-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(1Z,3E)-4-ethoxy-1-methoxy-3-methylbuta-1,3-dien-2-yl]oxy-trimethylsilane
PubChem CID11206982
Molecular FormulaC11H22O3Si
Molecular Weight230.38 g/mol
Exact Mass230.13
IUPAC Name[(1Z,3E)-4-ethoxy-1-methoxy-3-methylbuta-1,3-dien-2-yl]oxy-trimethylsilane
SMILESCCO/C=C(C)/C(=C/OC)O[Si](C)(C)C
InChIInChI=1S/C11H22O3Si/c1-7-13-8-10(2)11(9-12-3)14-15(4,5)6/h8-9H,7H2,1-6H3/b10-8+,11-9-
InChIKeyKSOWYQAZRSUHCN-GOOGBFEESA-N
XLogP3.27
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [(1Z,3E)-4-ethoxy-1-methoxy-3-methylbuta-1,3-dien-2-yl]oxy-trimethylsilane?
The IUPAC name of [(1Z,3E)-4-ethoxy-1-methoxy-3-methylbuta-1,3-dien-2-yl]oxy-trimethylsilane (CID 11206982) is [(1Z,3E)-4-ethoxy-1-methoxy-3-methylbuta-1,3-dien-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [(1Z,3E)-4-ethoxy-1-methoxy-3-methylbuta-1,3-dien-2-yl]oxy-trimethylsilane?
The canonical SMILES for [(1Z,3E)-4-ethoxy-1-methoxy-3-methylbuta-1,3-dien-2-yl]oxy-trimethylsilane is CCO/C=C(C)/C(=C/OC)O[Si](C)(C)C.
What is the InChIKey of [(1Z,3E)-4-ethoxy-1-methoxy-3-methylbuta-1,3-dien-2-yl]oxy-trimethylsilane?
The InChIKey is KSOWYQAZRSUHCN-GOOGBFEESA-N. The full InChI is InChI=1S/C11H22O3Si/c1-7-13-8-10(2)11(9-12-3)14-15(4,5)6/h8-9H,7H2,1-6H3/b10-8+,11-9-.
What are the key properties of [(1Z,3E)-4-ethoxy-1-methoxy-3-methylbuta-1,3-dien-2-yl]oxy-trimethylsilane?
[(1Z,3E)-4-ethoxy-1-methoxy-3-methylbuta-1,3-dien-2-yl]oxy-trimethylsilane has a molecular weight of 230.38 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z,3E)-4-ethoxy-1-methoxy-3-methylbuta-1,3-dien-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 11206982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).