[3-(bromomethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl]methoxy-tert-butyl-dimethylsilane

C20H41BrO2Si2 — CID 54350482

IUPAC[3-(bromomethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1C=C(CBr)CC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H41BrO2Si2/c1-19(2,3)24(7,8)22-14-17-11-16(13-21)12-18(17)15-23-25(9,10)20(4,5)6/h11,17-18H,12-15H2,1-10H3
InChIKeyUFJFGQWBHKOZNZ-UHFFFAOYSA-N
MW449.62 g/mol
LogP6.99
Rot. Bonds7

About [3-(bromomethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl]methoxy-tert-butyl-dimethylsilane

[3-(bromomethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 54350482) has the molecular formula C20H41BrO2Si2 and a molecular weight of 449.62 g/mol. Its IUPAC name is [3-(bromomethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[3-(bromomethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID54350482
Molecular FormulaC20H41BrO2Si2
Molecular Weight449.62 g/mol
Exact Mass448.18
IUPAC Name[3-(bromomethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1C=C(CBr)CC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H41BrO2Si2/c1-19(2,3)24(7,8)22-14-17-11-16(13-21)12-18(17)15-23-25(9,10)20(4,5)6/h11,17-18H,12-15H2,1-10H3
InChIKeyUFJFGQWBHKOZNZ-UHFFFAOYSA-N
XLogP6.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.62
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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 [3-(bromomethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [3-(bromomethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl]methoxy-tert-butyl-dimethylsilane (CID 54350482) is [3-(bromomethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [3-(bromomethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [3-(bromomethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCC1C=C(CBr)CC1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [3-(bromomethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is UFJFGQWBHKOZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41BrO2Si2/c1-19(2,3)24(7,8)22-14-17-11-16(13-21)12-18(17)15-23-25(9,10)20(4,5)6/h11,17-18H,12-15H2,1-10H3.
What are the key properties of [3-(bromomethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl]methoxy-tert-butyl-dimethylsilane?
[3-(bromomethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 449.62 g/mol, XLogP of 6.99, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(bromomethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 54350482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).