tert-butyl-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclobut-2-en-1-yl]oxy-dimethylsilane

C16H34O2Si2 — CID 101480393

IUPACtert-butyl-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclobut-2-en-1-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C=C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O2Si2/c1-15(2,3)19(7,8)17-13-11-12-14(13)18-20(9,10)16(4,5)6/h11-14H,1-10H3/t13-,14+
InChIKeyGERFJGLILJGORP-OKILXGFUSA-N
MW314.62 g/mol
LogP5.34
Rot. Bonds4

About tert-butyl-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclobut-2-en-1-yl]oxy-dimethylsilane

tert-butyl-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclobut-2-en-1-yl]oxy-dimethylsilane (PubChem CID 101480393) has the molecular formula C16H34O2Si2 and a molecular weight of 314.62 g/mol. Its IUPAC name is tert-butyl-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclobut-2-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclobut-2-en-1-yl]oxy-dimethylsilane
PubChem CID101480393
Molecular FormulaC16H34O2Si2
Molecular Weight314.62 g/mol
Exact Mass314.21
IUPAC Nametert-butyl-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclobut-2-en-1-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C=C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O2Si2/c1-15(2,3)19(7,8)17-13-11-12-14(13)18-20(9,10)16(4,5)6/h11-14H,1-10H3/t13-,14+
InChIKeyGERFJGLILJGORP-OKILXGFUSA-N
XLogP5.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.62
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclobut-2-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclobut-2-en-1-yl]oxy-dimethylsilane (CID 101480393) is tert-butyl-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclobut-2-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclobut-2-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclobut-2-en-1-yl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@H]1C=C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclobut-2-en-1-yl]oxy-dimethylsilane?
The InChIKey is GERFJGLILJGORP-OKILXGFUSA-N. The full InChI is InChI=1S/C16H34O2Si2/c1-15(2,3)19(7,8)17-13-11-12-14(13)18-20(9,10)16(4,5)6/h11-14H,1-10H3/t13-,14+.
What are the key properties of tert-butyl-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclobut-2-en-1-yl]oxy-dimethylsilane?
tert-butyl-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclobut-2-en-1-yl]oxy-dimethylsilane has a molecular weight of 314.62 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclobut-2-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 101480393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).