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

C17H36O2Si2 — CID 15110385

IUPACtert-butyl-[(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=C[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C17H36O2Si2/c1-16(2,3)20(7,8)18-14-11-12-15(13-14)19-21(9,10)17(4,5)6/h11-12,14-15H,13H2,1-10H3/t14-,15+
InChIKeyNFJLUMGGLUDOKL-GASCZTMLSA-N
MW328.65 g/mol
LogP5.73
Rot. Bonds4

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

tert-butyl-[(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxy-dimethylsilane (PubChem CID 15110385) has the molecular formula C17H36O2Si2 and a molecular weight of 328.65 g/mol. Its IUPAC name is tert-butyl-[(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxy-dimethylsilane
PubChem CID15110385
Molecular FormulaC17H36O2Si2
Molecular Weight328.65 g/mol
Exact Mass328.23
IUPAC Nametert-butyl-[(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=C[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C17H36O2Si2/c1-16(2,3)20(7,8)18-14-11-12-15(13-14)19-21(9,10)17(4,5)6/h11-12,14-15H,13H2,1-10H3/t14-,15+
InChIKeyNFJLUMGGLUDOKL-GASCZTMLSA-N
XLogP5.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.65
LogP ≤ 55.73
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-[(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxy-dimethylsilane (CID 15110385) is tert-butyl-[(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@@H]1C=C[C@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of tert-butyl-[(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxy-dimethylsilane?
The InChIKey is NFJLUMGGLUDOKL-GASCZTMLSA-N. The full InChI is InChI=1S/C17H36O2Si2/c1-16(2,3)20(7,8)18-14-11-12-15(13-14)19-21(9,10)17(4,5)6/h11-12,14-15H,13H2,1-10H3/t14-,15+.
What are the key properties of tert-butyl-[(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxy-dimethylsilane?
tert-butyl-[(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxy-dimethylsilane has a molecular weight of 328.65 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 15110385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).