tert-butyl-[1-[(1E)-3-[tert-butyl(dimethyl)silyl]oxybuta-1,3-dienyl]cyclopropyl]oxy-dimethylsilane

C19H38O2Si2 — CID 58932359

IUPACtert-butyl-[1-[(1E)-3-[tert-butyl(dimethyl)silyl]oxybuta-1,3-dienyl]cyclopropyl]oxy-dimethylsilane
SMILESC=C(/C=C/C1(O[Si](C)(C)C(C)(C)C)CC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O2Si2/c1-16(20-22(8,9)17(2,3)4)12-13-19(14-15-19)21-23(10,11)18(5,6)7/h12-13H,1,14-15H2,2-11H3/b13-12+
InChIKeyJLNGLLWFFSGGAE-OUKQBFOZSA-N
MW354.68 g/mol
LogP6.63
Rot. Bonds6

About tert-butyl-[1-[(1E)-3-[tert-butyl(dimethyl)silyl]oxybuta-1,3-dienyl]cyclopropyl]oxy-dimethylsilane

tert-butyl-[1-[(1E)-3-[tert-butyl(dimethyl)silyl]oxybuta-1,3-dienyl]cyclopropyl]oxy-dimethylsilane (PubChem CID 58932359) has the molecular formula C19H38O2Si2 and a molecular weight of 354.68 g/mol. Its IUPAC name is tert-butyl-[1-[(1E)-3-[tert-butyl(dimethyl)silyl]oxybuta-1,3-dienyl]cyclopropyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-[(1E)-3-[tert-butyl(dimethyl)silyl]oxybuta-1,3-dienyl]cyclopropyl]oxy-dimethylsilane
PubChem CID58932359
Molecular FormulaC19H38O2Si2
Molecular Weight354.68 g/mol
Exact Mass354.24
IUPAC Nametert-butyl-[1-[(1E)-3-[tert-butyl(dimethyl)silyl]oxybuta-1,3-dienyl]cyclopropyl]oxy-dimethylsilane
SMILESC=C(/C=C/C1(O[Si](C)(C)C(C)(C)C)CC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O2Si2/c1-16(20-22(8,9)17(2,3)4)12-13-19(14-15-19)21-23(10,11)18(5,6)7/h12-13H,1,14-15H2,2-11H3/b13-12+
InChIKeyJLNGLLWFFSGGAE-OUKQBFOZSA-N
XLogP6.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.68
LogP ≤ 56.63
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-[(1E)-3-[tert-butyl(dimethyl)silyl]oxybuta-1,3-dienyl]cyclopropyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[1-[(1E)-3-[tert-butyl(dimethyl)silyl]oxybuta-1,3-dienyl]cyclopropyl]oxy-dimethylsilane (CID 58932359) is tert-butyl-[1-[(1E)-3-[tert-butyl(dimethyl)silyl]oxybuta-1,3-dienyl]cyclopropyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-[(1E)-3-[tert-butyl(dimethyl)silyl]oxybuta-1,3-dienyl]cyclopropyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[1-[(1E)-3-[tert-butyl(dimethyl)silyl]oxybuta-1,3-dienyl]cyclopropyl]oxy-dimethylsilane is C=C(/C=C/C1(O[Si](C)(C)C(C)(C)C)CC1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[1-[(1E)-3-[tert-butyl(dimethyl)silyl]oxybuta-1,3-dienyl]cyclopropyl]oxy-dimethylsilane?
The InChIKey is JLNGLLWFFSGGAE-OUKQBFOZSA-N. The full InChI is InChI=1S/C19H38O2Si2/c1-16(20-22(8,9)17(2,3)4)12-13-19(14-15-19)21-23(10,11)18(5,6)7/h12-13H,1,14-15H2,2-11H3/b13-12+.
What are the key properties of tert-butyl-[1-[(1E)-3-[tert-butyl(dimethyl)silyl]oxybuta-1,3-dienyl]cyclopropyl]oxy-dimethylsilane?
tert-butyl-[1-[(1E)-3-[tert-butyl(dimethyl)silyl]oxybuta-1,3-dienyl]cyclopropyl]oxy-dimethylsilane has a molecular weight of 354.68 g/mol, XLogP of 6.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-[(1E)-3-[tert-butyl(dimethyl)silyl]oxybuta-1,3-dienyl]cyclopropyl]oxy-dimethylsilane is sourced from PubChem (CID 58932359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).