bromo-butan-2-yl-dimethoxysilane

C6H15BrO2Si — CID 175042063

IUPACbromo-butan-2-yl-dimethoxysilane
SMILESCCC(C)[Si](Br)(OC)OC
InChIInChI=1S/C6H15BrO2Si/c1-5-6(2)10(7,8-3)9-4/h6H,5H2,1-4H3
InChIKeyGLDWYNQXNIDLJB-UHFFFAOYSA-N
MW227.17 g/mol
LogP2.41
Rot. Bonds4

About bromo-butan-2-yl-dimethoxysilane

bromo-butan-2-yl-dimethoxysilane (PubChem CID 175042063) has the molecular formula C6H15BrO2Si and a molecular weight of 227.17 g/mol. Its IUPAC name is bromo-butan-2-yl-dimethoxysilane.

Molecular Properties

Compound Namebromo-butan-2-yl-dimethoxysilane
PubChem CID175042063
Molecular FormulaC6H15BrO2Si
Molecular Weight227.17 g/mol
Exact Mass226.00
IUPAC Namebromo-butan-2-yl-dimethoxysilane
SMILESCCC(C)[Si](Br)(OC)OC
InChIInChI=1S/C6H15BrO2Si/c1-5-6(2)10(7,8-3)9-4/h6H,5H2,1-4H3
InChIKeyGLDWYNQXNIDLJB-UHFFFAOYSA-N
XLogP2.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.17
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bromo-butan-2-yl-diethoxysilane
CID 175042762
di(butan-2-yl)-dimethoxysilane
CID 11687104
tribromo-[bromo-di(butan-2-yl)silyl]silane
CID 19598849
tribromo-[dibromo(butan-2-yl)silyl]silane
CID 19598837
butan-2-yl-dimethoxy-propylsilane
CID 22616756
dibromo-[bromo-butan-2-yl-[dibromo(butan-2-yl)silyl]silyl]-butan-2-ylsilane
CID 19598824
butan-2-yl-dimethoxy-pentan-2-ylsilane
CID 139692137
tri(butan-2-yl)-tri(butan-2-yl)silyloxysilane
CID 90312866
di(butan-2-yl)-[di(butan-2-yl)-ethylsilyl]oxy-ethylsilane
CID 90312723
(2R,3R)-3-bromo-2-methoxypentane
CID 6430987
N-[[butan-2-yl(dimethoxy)silyl]oxymethyl]ethanamine
CID 175160121
butan-2-yl-diethynyl-methylsilane
CID 54554607

Frequently Asked Questions

What is the IUPAC name of bromo-butan-2-yl-dimethoxysilane?
The IUPAC name of bromo-butan-2-yl-dimethoxysilane (CID 175042063) is bromo-butan-2-yl-dimethoxysilane.
What is the SMILES notation for bromo-butan-2-yl-dimethoxysilane?
The canonical SMILES for bromo-butan-2-yl-dimethoxysilane is CCC(C)[Si](Br)(OC)OC.
What is the InChIKey of bromo-butan-2-yl-dimethoxysilane?
The InChIKey is GLDWYNQXNIDLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15BrO2Si/c1-5-6(2)10(7,8-3)9-4/h6H,5H2,1-4H3.
What are the key properties of bromo-butan-2-yl-dimethoxysilane?
bromo-butan-2-yl-dimethoxysilane has a molecular weight of 227.17 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-butan-2-yl-dimethoxysilane is sourced from PubChem (CID 175042063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).