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

C20H41BrO2Si2 — CID 57281153

IUPAC[3-(bromomethyl)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-3-en-1-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1(CO[Si](C)(C)C(C)(C)C)CC=C(CBr)C1
InChIInChI=1S/C20H41BrO2Si2/c1-18(2,3)24(7,8)22-15-20(12-11-17(13-20)14-21)16-23-25(9,10)19(4,5)6/h11H,12-16H2,1-10H3
InChIKeyFYIWZXNAXVVEAS-UHFFFAOYSA-N
MW449.62 g/mol
LogP7.13
Rot. Bonds7

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

[3-(bromomethyl)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-3-en-1-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 57281153) has the molecular formula C20H41BrO2Si2 and a molecular weight of 449.62 g/mol. Its IUPAC name is [3-(bromomethyl)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-3-en-1-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[3-(bromomethyl)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-3-en-1-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID57281153
Molecular FormulaC20H41BrO2Si2
Molecular Weight449.62 g/mol
Exact Mass448.18
IUPAC Name[3-(bromomethyl)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-3-en-1-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1(CO[Si](C)(C)C(C)(C)C)CC=C(CBr)C1
InChIInChI=1S/C20H41BrO2Si2/c1-18(2,3)24(7,8)22-15-20(12-11-17(13-20)14-21)16-23-25(9,10)19(4,5)6/h11H,12-16H2,1-10H3
InChIKeyFYIWZXNAXVVEAS-UHFFFAOYSA-N
XLogP7.13
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 ≤ 57.13
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)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-3-en-1-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [3-(bromomethyl)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-3-en-1-yl]methoxy-tert-butyl-dimethylsilane (CID 57281153) is [3-(bromomethyl)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-3-en-1-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [3-(bromomethyl)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-3-en-1-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [3-(bromomethyl)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-3-en-1-yl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCC1(CO[Si](C)(C)C(C)(C)C)CC=C(CBr)C1.
What is the InChIKey of [3-(bromomethyl)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-3-en-1-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is FYIWZXNAXVVEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41BrO2Si2/c1-18(2,3)24(7,8)22-15-20(12-11-17(13-20)14-21)16-23-25(9,10)19(4,5)6/h11H,12-16H2,1-10H3.
What are the key properties of [3-(bromomethyl)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-3-en-1-yl]methoxy-tert-butyl-dimethylsilane?
[3-(bromomethyl)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-3-en-1-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 449.62 g/mol, XLogP of 7.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(bromomethyl)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-3-en-1-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 57281153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).