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

C16H29BrOSi — CID 102184985

IUPAC[3-bromo-2-[(E)-pent-2-enyl]cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCC/C=C/CC1=C(Br)CCC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H29BrOSi/c1-7-8-9-10-13-14(17)11-12-15(13)18-19(5,6)16(2,3)4/h8-9,15H,7,10-12H2,1-6H3/b9-8+
InChIKeyZUMBLGKYWZDKPG-CMDGGOBGSA-N
MW345.40 g/mol
LogP6.18
Rot. Bonds5

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

[3-bromo-2-[(E)-pent-2-enyl]cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 102184985) has the molecular formula C16H29BrOSi and a molecular weight of 345.40 g/mol. Its IUPAC name is [3-bromo-2-[(E)-pent-2-enyl]cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[3-bromo-2-[(E)-pent-2-enyl]cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
PubChem CID102184985
Molecular FormulaC16H29BrOSi
Molecular Weight345.40 g/mol
Exact Mass344.12
IUPAC Name[3-bromo-2-[(E)-pent-2-enyl]cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCC/C=C/CC1=C(Br)CCC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H29BrOSi/c1-7-8-9-10-13-14(17)11-12-15(13)18-19(5,6)16(2,3)4/h8-9,15H,7,10-12H2,1-6H3/b9-8+
InChIKeyZUMBLGKYWZDKPG-CMDGGOBGSA-N
XLogP6.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.40
LogP ≤ 56.18
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)-pent-2-enyl]cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [3-bromo-2-[(E)-pent-2-enyl]cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane (CID 102184985) is [3-bromo-2-[(E)-pent-2-enyl]cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [3-bromo-2-[(E)-pent-2-enyl]cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [3-bromo-2-[(E)-pent-2-enyl]cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane is CC/C=C/CC1=C(Br)CCC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [3-bromo-2-[(E)-pent-2-enyl]cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is ZUMBLGKYWZDKPG-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H29BrOSi/c1-7-8-9-10-13-14(17)11-12-15(13)18-19(5,6)16(2,3)4/h8-9,15H,7,10-12H2,1-6H3/b9-8+.
What are the key properties of [3-bromo-2-[(E)-pent-2-enyl]cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane?
[3-bromo-2-[(E)-pent-2-enyl]cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 345.40 g/mol, XLogP of 6.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-2-[(E)-pent-2-enyl]cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 102184985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).