[3-(bromomethyl)cyclopent-3-en-1-yl]methoxy-tert-butyl-dimethylsilane;tetrabromomethane

C14H25Br5OSi — CID 160538675

IUPAC[3-(bromomethyl)cyclopent-3-en-1-yl]methoxy-tert-butyl-dimethylsilane;tetrabromomethane
SMILESBrC(Br)(Br)Br.CC(C)(C)[Si](C)(C)OCC1CC=C(CBr)C1
InChIInChI=1S/C13H25BrOSi.CBr4/c1-13(2,3)16(4,5)15-10-12-7-6-11(8-12)9-14;2-1(3,4)5/h6,12H,7-10H2,1-5H3;
InChIKeyQWMHXCDIMVZXLT-UHFFFAOYSA-N
MW636.96 g/mol
LogP7.92
Rot. Bonds4

About [3-(bromomethyl)cyclopent-3-en-1-yl]methoxy-tert-butyl-dimethylsilane;tetrabromomethane

[3-(bromomethyl)cyclopent-3-en-1-yl]methoxy-tert-butyl-dimethylsilane;tetrabromomethane (PubChem CID 160538675) has the molecular formula C14H25Br5OSi and a molecular weight of 636.96 g/mol. Its IUPAC name is [3-(bromomethyl)cyclopent-3-en-1-yl]methoxy-tert-butyl-dimethylsilane;tetrabromomethane.

Molecular Properties

Compound Name[3-(bromomethyl)cyclopent-3-en-1-yl]methoxy-tert-butyl-dimethylsilane;tetrabromomethane
PubChem CID160538675
Molecular FormulaC14H25Br5OSi
Molecular Weight636.96 g/mol
Exact Mass631.76
IUPAC Name[3-(bromomethyl)cyclopent-3-en-1-yl]methoxy-tert-butyl-dimethylsilane;tetrabromomethane
SMILESBrC(Br)(Br)Br.CC(C)(C)[Si](C)(C)OCC1CC=C(CBr)C1
InChIInChI=1S/C13H25BrOSi.CBr4/c1-13(2,3)16(4,5)15-10-12-7-6-11(8-12)9-14;2-1(3,4)5/h6,12H,7-10H2,1-5H3;
InChIKeyQWMHXCDIMVZXLT-UHFFFAOYSA-N
XLogP7.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.96
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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)cyclopent-3-en-1-yl]methoxy-tert-butyl-dimethylsilane;tetrabromomethane?
The IUPAC name of [3-(bromomethyl)cyclopent-3-en-1-yl]methoxy-tert-butyl-dimethylsilane;tetrabromomethane (CID 160538675) is [3-(bromomethyl)cyclopent-3-en-1-yl]methoxy-tert-butyl-dimethylsilane;tetrabromomethane.
What is the SMILES notation for [3-(bromomethyl)cyclopent-3-en-1-yl]methoxy-tert-butyl-dimethylsilane;tetrabromomethane?
The canonical SMILES for [3-(bromomethyl)cyclopent-3-en-1-yl]methoxy-tert-butyl-dimethylsilane;tetrabromomethane is BrC(Br)(Br)Br.CC(C)(C)[Si](C)(C)OCC1CC=C(CBr)C1.
What is the InChIKey of [3-(bromomethyl)cyclopent-3-en-1-yl]methoxy-tert-butyl-dimethylsilane;tetrabromomethane?
The InChIKey is QWMHXCDIMVZXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25BrOSi.CBr4/c1-13(2,3)16(4,5)15-10-12-7-6-11(8-12)9-14;2-1(3,4)5/h6,12H,7-10H2,1-5H3;.
What are the key properties of [3-(bromomethyl)cyclopent-3-en-1-yl]methoxy-tert-butyl-dimethylsilane;tetrabromomethane?
[3-(bromomethyl)cyclopent-3-en-1-yl]methoxy-tert-butyl-dimethylsilane;tetrabromomethane has a molecular weight of 636.96 g/mol, XLogP of 7.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(bromomethyl)cyclopent-3-en-1-yl]methoxy-tert-butyl-dimethylsilane;tetrabromomethane is sourced from PubChem (CID 160538675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).