tert-butyl-[1-(1-ethoxyethoxy)propa-1,2-dienyl]-dimethylsilane

C13H26O2Si — CID 12929550

IUPACtert-butyl-[1-(1-ethoxyethoxy)propa-1,2-dienyl]-dimethylsilane
SMILESC=C=C(OC(C)OCC)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-9-12(15-11(3)14-10-2)16(7,8)13(4,5)6/h11H,1,10H2,2-8H3
InChIKeyXJMGNVACIGUJDB-UHFFFAOYSA-N
MW242.43 g/mol
LogP4.10
Rot. Bonds5

About tert-butyl-[1-(1-ethoxyethoxy)propa-1,2-dienyl]-dimethylsilane

tert-butyl-[1-(1-ethoxyethoxy)propa-1,2-dienyl]-dimethylsilane (PubChem CID 12929550) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is tert-butyl-[1-(1-ethoxyethoxy)propa-1,2-dienyl]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-(1-ethoxyethoxy)propa-1,2-dienyl]-dimethylsilane
PubChem CID12929550
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Nametert-butyl-[1-(1-ethoxyethoxy)propa-1,2-dienyl]-dimethylsilane
SMILESC=C=C(OC(C)OCC)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-9-12(15-11(3)14-10-2)16(7,8)13(4,5)6/h11H,1,10H2,2-8H3
InChIKeyXJMGNVACIGUJDB-UHFFFAOYSA-N
XLogP4.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-(1-ethoxyethoxy)propa-1,2-dienyl]-dimethylsilane?
The IUPAC name of tert-butyl-[1-(1-ethoxyethoxy)propa-1,2-dienyl]-dimethylsilane (CID 12929550) is tert-butyl-[1-(1-ethoxyethoxy)propa-1,2-dienyl]-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-(1-ethoxyethoxy)propa-1,2-dienyl]-dimethylsilane?
The canonical SMILES for tert-butyl-[1-(1-ethoxyethoxy)propa-1,2-dienyl]-dimethylsilane is C=C=C(OC(C)OCC)[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[1-(1-ethoxyethoxy)propa-1,2-dienyl]-dimethylsilane?
The InChIKey is XJMGNVACIGUJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-9-12(15-11(3)14-10-2)16(7,8)13(4,5)6/h11H,1,10H2,2-8H3.
What are the key properties of tert-butyl-[1-(1-ethoxyethoxy)propa-1,2-dienyl]-dimethylsilane?
tert-butyl-[1-(1-ethoxyethoxy)propa-1,2-dienyl]-dimethylsilane has a molecular weight of 242.43 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-(1-ethoxyethoxy)propa-1,2-dienyl]-dimethylsilane is sourced from PubChem (CID 12929550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).