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

C18H38O2Si2 — CID 10246798

IUPACtert-butyl-[[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1C=C[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C18H38O2Si2/c1-17(2,3)21(7,8)19-14-15-11-12-16(13-15)20-22(9,10)18(4,5)6/h11-12,15-16H,13-14H2,1-10H3/t15-,16+/m0/s1
InChIKeyGGCNUPCBHACFTG-JKSUJKDBSA-N
MW342.67 g/mol
LogP5.97
Rot. Bonds5

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

tert-butyl-[[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]methoxy]-dimethylsilane (PubChem CID 10246798) has the molecular formula C18H38O2Si2 and a molecular weight of 342.67 g/mol. Its IUPAC name is tert-butyl-[[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]methoxy]-dimethylsilane
PubChem CID10246798
Molecular FormulaC18H38O2Si2
Molecular Weight342.67 g/mol
Exact Mass342.24
IUPAC Nametert-butyl-[[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1C=C[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C18H38O2Si2/c1-17(2,3)21(7,8)19-14-15-11-12-16(13-15)20-22(9,10)18(4,5)6/h11-12,15-16H,13-14H2,1-10H3/t15-,16+/m0/s1
InChIKeyGGCNUPCBHACFTG-JKSUJKDBSA-N
XLogP5.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.67
LogP ≤ 55.97
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]oxycyclopent-2-en-1-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]methoxy]-dimethylsilane (CID 10246798) is tert-butyl-[[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@H]1C=C[C@@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of tert-butyl-[[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]methoxy]-dimethylsilane?
The InChIKey is GGCNUPCBHACFTG-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H38O2Si2/c1-17(2,3)21(7,8)19-14-15-11-12-16(13-15)20-22(9,10)18(4,5)6/h11-12,15-16H,13-14H2,1-10H3/t15-,16+/m0/s1.
What are the key properties of tert-butyl-[[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]methoxy]-dimethylsilane?
tert-butyl-[[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]methoxy]-dimethylsilane has a molecular weight of 342.67 g/mol, XLogP of 5.97, 5 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]oxycyclopent-2-en-1-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 10246798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).