[3-bromo-2-[(E)-but-2-enyl]cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane

C15H27BrOSi — CID 102184986

IUPAC[3-bromo-2-[(E)-but-2-enyl]cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
SMILESC/C=C/CC1=C(Br)CCC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H27BrOSi/c1-7-8-9-12-13(16)10-11-14(12)17-18(5,6)15(2,3)4/h7-8,14H,9-11H2,1-6H3/b8-7+
InChIKeyYYNZPXIORQYLOA-BQYQJAHWSA-N
MW331.37 g/mol
LogP5.79
Rot. Bonds4

About [3-bromo-2-[(E)-but-2-enyl]cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane

[3-bromo-2-[(E)-but-2-enyl]cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 102184986) has the molecular formula C15H27BrOSi and a molecular weight of 331.37 g/mol. Its IUPAC name is [3-bromo-2-[(E)-but-2-enyl]cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[3-bromo-2-[(E)-but-2-enyl]cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
PubChem CID102184986
Molecular FormulaC15H27BrOSi
Molecular Weight331.37 g/mol
Exact Mass330.10
IUPAC Name[3-bromo-2-[(E)-but-2-enyl]cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
SMILESC/C=C/CC1=C(Br)CCC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H27BrOSi/c1-7-8-9-12-13(16)10-11-14(12)17-18(5,6)15(2,3)4/h7-8,14H,9-11H2,1-6H3/b8-7+
InChIKeyYYNZPXIORQYLOA-BQYQJAHWSA-N
XLogP5.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.37
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 [3-bromo-2-[(E)-but-2-enyl]cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [3-bromo-2-[(E)-but-2-enyl]cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane (CID 102184986) is [3-bromo-2-[(E)-but-2-enyl]cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [3-bromo-2-[(E)-but-2-enyl]cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [3-bromo-2-[(E)-but-2-enyl]cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane is C/C=C/CC1=C(Br)CCC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [3-bromo-2-[(E)-but-2-enyl]cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is YYNZPXIORQYLOA-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H27BrOSi/c1-7-8-9-12-13(16)10-11-14(12)17-18(5,6)15(2,3)4/h7-8,14H,9-11H2,1-6H3/b8-7+.
What are the key properties of [3-bromo-2-[(E)-but-2-enyl]cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane?
[3-bromo-2-[(E)-but-2-enyl]cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 331.37 g/mol, XLogP of 5.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-2-[(E)-but-2-enyl]cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 102184986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).