(3-bromo-2-ethenylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane

C13H23BrOSi — CID 138109860

IUPAC(3-bromo-2-ethenylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane
SMILESC=CC1=C(Br)CCC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H23BrOSi/c1-7-10-11(14)8-9-12(10)15-16(5,6)13(2,3)4/h7,12H,1,8-9H2,2-6H3
InChIKeyXCCXLRCDIXEFRV-UHFFFAOYSA-N
MW303.32 g/mol
LogP5.01
Rot. Bonds3

About (3-bromo-2-ethenylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane

(3-bromo-2-ethenylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane (PubChem CID 138109860) has the molecular formula C13H23BrOSi and a molecular weight of 303.32 g/mol. Its IUPAC name is (3-bromo-2-ethenylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(3-bromo-2-ethenylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane
PubChem CID138109860
Molecular FormulaC13H23BrOSi
Molecular Weight303.32 g/mol
Exact Mass302.07
IUPAC Name(3-bromo-2-ethenylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane
SMILESC=CC1=C(Br)CCC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H23BrOSi/c1-7-10-11(14)8-9-12(10)15-16(5,6)13(2,3)4/h7,12H,1,8-9H2,2-6H3
InChIKeyXCCXLRCDIXEFRV-UHFFFAOYSA-N
XLogP5.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.32
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-ethenylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane?
The IUPAC name of (3-bromo-2-ethenylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane (CID 138109860) is (3-bromo-2-ethenylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (3-bromo-2-ethenylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane?
The canonical SMILES for (3-bromo-2-ethenylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane is C=CC1=C(Br)CCC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3-bromo-2-ethenylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane?
The InChIKey is XCCXLRCDIXEFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrOSi/c1-7-10-11(14)8-9-12(10)15-16(5,6)13(2,3)4/h7,12H,1,8-9H2,2-6H3.
What are the key properties of (3-bromo-2-ethenylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane?
(3-bromo-2-ethenylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane has a molecular weight of 303.32 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-ethenylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 138109860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).