2-(2-bromothiophen-3-yl)ethoxy-tri(propan-2-yl)silane

C15H27BrOSSi — CID 134860540

IUPAC2-(2-bromothiophen-3-yl)ethoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCCc1ccsc1Br)(C(C)C)C(C)C
InChIInChI=1S/C15H27BrOSSi/c1-11(2)19(12(3)4,13(5)6)17-9-7-14-8-10-18-15(14)16/h8,10-13H,7,9H2,1-6H3
InChIKeyOQYSYWGCUCSTFW-UHFFFAOYSA-N
MW363.44 g/mol
LogP6.25
Rot. Bonds7

About 2-(2-bromothiophen-3-yl)ethoxy-tri(propan-2-yl)silane

2-(2-bromothiophen-3-yl)ethoxy-tri(propan-2-yl)silane (PubChem CID 134860540) has the molecular formula C15H27BrOSSi and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-(2-bromothiophen-3-yl)ethoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-(2-bromothiophen-3-yl)ethoxy-tri(propan-2-yl)silane
PubChem CID134860540
Molecular FormulaC15H27BrOSSi
Molecular Weight363.44 g/mol
Exact Mass362.07
IUPAC Name2-(2-bromothiophen-3-yl)ethoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCCc1ccsc1Br)(C(C)C)C(C)C
InChIInChI=1S/C15H27BrOSSi/c1-11(2)19(12(3)4,13(5)6)17-9-7-14-8-10-18-15(14)16/h8,10-13H,7,9H2,1-6H3
InChIKeyOQYSYWGCUCSTFW-UHFFFAOYSA-N
XLogP6.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.44
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-(2-bromothiophen-3-yl)ethoxy-tri(propan-2-yl)silane?
The IUPAC name of 2-(2-bromothiophen-3-yl)ethoxy-tri(propan-2-yl)silane (CID 134860540) is 2-(2-bromothiophen-3-yl)ethoxy-tri(propan-2-yl)silane.
What is the SMILES notation for 2-(2-bromothiophen-3-yl)ethoxy-tri(propan-2-yl)silane?
The canonical SMILES for 2-(2-bromothiophen-3-yl)ethoxy-tri(propan-2-yl)silane is CC(C)[Si](OCCc1ccsc1Br)(C(C)C)C(C)C.
What is the InChIKey of 2-(2-bromothiophen-3-yl)ethoxy-tri(propan-2-yl)silane?
The InChIKey is OQYSYWGCUCSTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BrOSSi/c1-11(2)19(12(3)4,13(5)6)17-9-7-14-8-10-18-15(14)16/h8,10-13H,7,9H2,1-6H3.
What are the key properties of 2-(2-bromothiophen-3-yl)ethoxy-tri(propan-2-yl)silane?
2-(2-bromothiophen-3-yl)ethoxy-tri(propan-2-yl)silane has a molecular weight of 363.44 g/mol, XLogP of 6.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromothiophen-3-yl)ethoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 134860540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).