[1-(2-bromoethynyl)cyclohexyl]oxy-tert-butyl-dimethylsilane

C14H25BrOSi — CID 164511033

IUPAC[1-(2-bromoethynyl)cyclohexyl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1(C#CBr)CCCCC1
InChIInChI=1S/C14H25BrOSi/c1-13(2,3)17(4,5)16-14(11-12-15)9-7-6-8-10-14/h6-10H2,1-5H3
InChIKeyQGFQTEFTWDIEKM-UHFFFAOYSA-N
MW317.34 g/mol
LogP5.07
Rot. Bonds2

About [1-(2-bromoethynyl)cyclohexyl]oxy-tert-butyl-dimethylsilane

[1-(2-bromoethynyl)cyclohexyl]oxy-tert-butyl-dimethylsilane (PubChem CID 164511033) has the molecular formula C14H25BrOSi and a molecular weight of 317.34 g/mol. Its IUPAC name is [1-(2-bromoethynyl)cyclohexyl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[1-(2-bromoethynyl)cyclohexyl]oxy-tert-butyl-dimethylsilane
PubChem CID164511033
Molecular FormulaC14H25BrOSi
Molecular Weight317.34 g/mol
Exact Mass316.09
IUPAC Name[1-(2-bromoethynyl)cyclohexyl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1(C#CBr)CCCCC1
InChIInChI=1S/C14H25BrOSi/c1-13(2,3)17(4,5)16-14(11-12-15)9-7-6-8-10-14/h6-10H2,1-5H3
InChIKeyQGFQTEFTWDIEKM-UHFFFAOYSA-N
XLogP5.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.34
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(2-bromoethynyl)cyclohexyl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [1-(2-bromoethynyl)cyclohexyl]oxy-tert-butyl-dimethylsilane (CID 164511033) is [1-(2-bromoethynyl)cyclohexyl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [1-(2-bromoethynyl)cyclohexyl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [1-(2-bromoethynyl)cyclohexyl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC1(C#CBr)CCCCC1.
What is the InChIKey of [1-(2-bromoethynyl)cyclohexyl]oxy-tert-butyl-dimethylsilane?
The InChIKey is QGFQTEFTWDIEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrOSi/c1-13(2,3)17(4,5)16-14(11-12-15)9-7-6-8-10-14/h6-10H2,1-5H3.
What are the key properties of [1-(2-bromoethynyl)cyclohexyl]oxy-tert-butyl-dimethylsilane?
[1-(2-bromoethynyl)cyclohexyl]oxy-tert-butyl-dimethylsilane has a molecular weight of 317.34 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromoethynyl)cyclohexyl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 164511033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).