[(2E)-hexa-2,5-dien-2-yl]oxy-trimethylsilane

C9H18OSi — CID 12757144

IUPAC[(2E)-hexa-2,5-dien-2-yl]oxy-trimethylsilane
SMILESC=CC/C=C(\C)O[Si](C)(C)C
InChIInChI=1S/C9H18OSi/c1-6-7-8-9(2)10-11(3,4)5/h6,8H,1,7H2,2-5H3/b9-8+
InChIKeyAGZXXWNCFYCDFL-CMDGGOBGSA-N
MW170.33 g/mol
LogP3.32
Rot. Bonds4

About [(2E)-hexa-2,5-dien-2-yl]oxy-trimethylsilane

[(2E)-hexa-2,5-dien-2-yl]oxy-trimethylsilane (PubChem CID 12757144) has the molecular formula C9H18OSi and a molecular weight of 170.33 g/mol. Its IUPAC name is [(2E)-hexa-2,5-dien-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(2E)-hexa-2,5-dien-2-yl]oxy-trimethylsilane
PubChem CID12757144
Molecular FormulaC9H18OSi
Molecular Weight170.33 g/mol
Exact Mass170.11
IUPAC Name[(2E)-hexa-2,5-dien-2-yl]oxy-trimethylsilane
SMILESC=CC/C=C(\C)O[Si](C)(C)C
InChIInChI=1S/C9H18OSi/c1-6-7-8-9(2)10-11(3,4)5/h6,8H,1,7H2,2-5H3/b9-8+
InChIKeyAGZXXWNCFYCDFL-CMDGGOBGSA-N
XLogP3.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2E)-hexa-2,5-dien-2-yl]oxy-trimethylsilane?
The IUPAC name of [(2E)-hexa-2,5-dien-2-yl]oxy-trimethylsilane (CID 12757144) is [(2E)-hexa-2,5-dien-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [(2E)-hexa-2,5-dien-2-yl]oxy-trimethylsilane?
The canonical SMILES for [(2E)-hexa-2,5-dien-2-yl]oxy-trimethylsilane is C=CC/C=C(\C)O[Si](C)(C)C.
What is the InChIKey of [(2E)-hexa-2,5-dien-2-yl]oxy-trimethylsilane?
The InChIKey is AGZXXWNCFYCDFL-CMDGGOBGSA-N. The full InChI is InChI=1S/C9H18OSi/c1-6-7-8-9(2)10-11(3,4)5/h6,8H,1,7H2,2-5H3/b9-8+.
What are the key properties of [(2E)-hexa-2,5-dien-2-yl]oxy-trimethylsilane?
[(2E)-hexa-2,5-dien-2-yl]oxy-trimethylsilane has a molecular weight of 170.33 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-hexa-2,5-dien-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 12757144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).