(1-bromo-1-chloroethoxy)-butyl-ethoxy-propylsilane

C11H24BrClO2Si — CID 172844712

IUPAC(1-bromo-1-chloroethoxy)-butyl-ethoxy-propylsilane
SMILESCCCC[Si](CCC)(OCC)OC(C)(Cl)Br
InChIInChI=1S/C11H24BrClO2Si/c1-5-8-10-16(9-6-2,14-7-3)15-11(4,12)13/h5-10H2,1-4H3
InChIKeyXGLYVOOXINEBBS-UHFFFAOYSA-N
MW331.75 g/mol
LogP5.00
Rot. Bonds9

About (1-bromo-1-chloroethoxy)-butyl-ethoxy-propylsilane

(1-bromo-1-chloroethoxy)-butyl-ethoxy-propylsilane (PubChem CID 172844712) has the molecular formula C11H24BrClO2Si and a molecular weight of 331.75 g/mol. Its IUPAC name is (1-bromo-1-chloroethoxy)-butyl-ethoxy-propylsilane.

Molecular Properties

Compound Name(1-bromo-1-chloroethoxy)-butyl-ethoxy-propylsilane
PubChem CID172844712
Molecular FormulaC11H24BrClO2Si
Molecular Weight331.75 g/mol
Exact Mass330.04
IUPAC Name(1-bromo-1-chloroethoxy)-butyl-ethoxy-propylsilane
SMILESCCCC[Si](CCC)(OCC)OC(C)(Cl)Br
InChIInChI=1S/C11H24BrClO2Si/c1-5-8-10-16(9-6-2,14-7-3)15-11(4,12)13/h5-10H2,1-4H3
InChIKeyXGLYVOOXINEBBS-UHFFFAOYSA-N
XLogP5.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.75
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

diethoxy-nonyl-propylsilane
CID 139614051
butyl-diethoxy-tetradecylsilane
CID 139614088
butyl-(2,2-dimethylpropyl)-ethoxy-methoxysilane
CID 141442950
ethoxy-methoxy-propyl-tetradecylsilane
CID 141078244
decyl-diethoxy-tridecylsilane
CID 139614334
diethoxy-heptadecyl-pentadecylsilane
CID 139614360
diethoxy-icosyl-undecylsilane
CID 139614143
diethoxy-hexadecyl-tridecylsilane
CID 139614117
4-[diethoxy(propyl)silyl]butan-1-amine
CID 139765357
diethoxy-ethyl-tetradecylsilane
CID 139614055
diethoxy-ethyl-hexacosylsilane
CID 153322873
butyl-dipentoxy-propylsilane
CID 140892782

Frequently Asked Questions

What is the IUPAC name of (1-bromo-1-chloroethoxy)-butyl-ethoxy-propylsilane?
The IUPAC name of (1-bromo-1-chloroethoxy)-butyl-ethoxy-propylsilane (CID 172844712) is (1-bromo-1-chloroethoxy)-butyl-ethoxy-propylsilane.
What is the SMILES notation for (1-bromo-1-chloroethoxy)-butyl-ethoxy-propylsilane?
The canonical SMILES for (1-bromo-1-chloroethoxy)-butyl-ethoxy-propylsilane is CCCC[Si](CCC)(OCC)OC(C)(Cl)Br.
What is the InChIKey of (1-bromo-1-chloroethoxy)-butyl-ethoxy-propylsilane?
The InChIKey is XGLYVOOXINEBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24BrClO2Si/c1-5-8-10-16(9-6-2,14-7-3)15-11(4,12)13/h5-10H2,1-4H3.
What are the key properties of (1-bromo-1-chloroethoxy)-butyl-ethoxy-propylsilane?
(1-bromo-1-chloroethoxy)-butyl-ethoxy-propylsilane has a molecular weight of 331.75 g/mol, XLogP of 5.00, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromo-1-chloroethoxy)-butyl-ethoxy-propylsilane is sourced from PubChem (CID 172844712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).