4-bromobutyl-(1-chloroethoxy)-ethoxy-methylsilane

C9H20BrClO2Si — CID 141486551

IUPAC4-bromobutyl-(1-chloroethoxy)-ethoxy-methylsilane
SMILESCCO[Si](C)(CCCCBr)OC(C)Cl
InChIInChI=1S/C9H20BrClO2Si/c1-4-12-14(3,13-9(2)11)8-6-5-7-10/h9H,4-8H2,1-3H3
InChIKeyZLDKNHJUSXWOMM-UHFFFAOYSA-N
MW303.70 g/mol
LogP3.87
Rot. Bonds8

About 4-bromobutyl-(1-chloroethoxy)-ethoxy-methylsilane

4-bromobutyl-(1-chloroethoxy)-ethoxy-methylsilane (PubChem CID 141486551) has the molecular formula C9H20BrClO2Si and a molecular weight of 303.70 g/mol. Its IUPAC name is 4-bromobutyl-(1-chloroethoxy)-ethoxy-methylsilane.

Molecular Properties

Compound Name4-bromobutyl-(1-chloroethoxy)-ethoxy-methylsilane
PubChem CID141486551
Molecular FormulaC9H20BrClO2Si
Molecular Weight303.70 g/mol
Exact Mass302.01
IUPAC Name4-bromobutyl-(1-chloroethoxy)-ethoxy-methylsilane
SMILESCCO[Si](C)(CCCCBr)OC(C)Cl
InChIInChI=1S/C9H20BrClO2Si/c1-4-12-14(3,13-9(2)11)8-6-5-7-10/h9H,4-8H2,1-3H3
InChIKeyZLDKNHJUSXWOMM-UHFFFAOYSA-N
XLogP3.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.70
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromobutyl-(1-chloroethoxy)-ethoxy-methylsilane?
The IUPAC name of 4-bromobutyl-(1-chloroethoxy)-ethoxy-methylsilane (CID 141486551) is 4-bromobutyl-(1-chloroethoxy)-ethoxy-methylsilane.
What is the SMILES notation for 4-bromobutyl-(1-chloroethoxy)-ethoxy-methylsilane?
The canonical SMILES for 4-bromobutyl-(1-chloroethoxy)-ethoxy-methylsilane is CCO[Si](C)(CCCCBr)OC(C)Cl.
What is the InChIKey of 4-bromobutyl-(1-chloroethoxy)-ethoxy-methylsilane?
The InChIKey is ZLDKNHJUSXWOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20BrClO2Si/c1-4-12-14(3,13-9(2)11)8-6-5-7-10/h9H,4-8H2,1-3H3.
What are the key properties of 4-bromobutyl-(1-chloroethoxy)-ethoxy-methylsilane?
4-bromobutyl-(1-chloroethoxy)-ethoxy-methylsilane has a molecular weight of 303.70 g/mol, XLogP of 3.87, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromobutyl-(1-chloroethoxy)-ethoxy-methylsilane is sourced from PubChem (CID 141486551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).