tert-butyl-dimethyl-[(1E)-penta-1,4-dienoxy]silane

C11H22OSi — CID 15004440

IUPACtert-butyl-dimethyl-[(1E)-penta-1,4-dienoxy]silane
SMILESC=CC/C=C/O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22OSi/c1-7-8-9-10-12-13(5,6)11(2,3)4/h7,9-10H,1,8H2,2-6H3/b10-9+
InChIKeyQZYGAEMRDHDUPH-MDZDMXLPSA-N
MW198.38 g/mol
LogP4.10
Rot. Bonds4

About tert-butyl-dimethyl-[(1E)-penta-1,4-dienoxy]silane

tert-butyl-dimethyl-[(1E)-penta-1,4-dienoxy]silane (PubChem CID 15004440) has the molecular formula C11H22OSi and a molecular weight of 198.38 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1E)-penta-1,4-dienoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1E)-penta-1,4-dienoxy]silane
PubChem CID15004440
Molecular FormulaC11H22OSi
Molecular Weight198.38 g/mol
Exact Mass198.14
IUPAC Nametert-butyl-dimethyl-[(1E)-penta-1,4-dienoxy]silane
SMILESC=CC/C=C/O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22OSi/c1-7-8-9-10-12-13(5,6)11(2,3)4/h7,9-10H,1,8H2,2-6H3/b10-9+
InChIKeyQZYGAEMRDHDUPH-MDZDMXLPSA-N
XLogP4.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.38
LogP ≤ 54.10
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 tert-butyl-dimethyl-[(1E)-penta-1,4-dienoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(1E)-penta-1,4-dienoxy]silane (CID 15004440) is tert-butyl-dimethyl-[(1E)-penta-1,4-dienoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(1E)-penta-1,4-dienoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(1E)-penta-1,4-dienoxy]silane is C=CC/C=C/O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(1E)-penta-1,4-dienoxy]silane?
The InChIKey is QZYGAEMRDHDUPH-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H22OSi/c1-7-8-9-10-12-13(5,6)11(2,3)4/h7,9-10H,1,8H2,2-6H3/b10-9+.
What are the key properties of tert-butyl-dimethyl-[(1E)-penta-1,4-dienoxy]silane?
tert-butyl-dimethyl-[(1E)-penta-1,4-dienoxy]silane has a molecular weight of 198.38 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1E)-penta-1,4-dienoxy]silane is sourced from PubChem (CID 15004440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).