bromo-butan-2-yl-diethoxysilane

C8H19BrO2Si — CID 175042762

IUPACbromo-butan-2-yl-diethoxysilane
SMILESCCO[Si](Br)(OCC)C(C)CC
InChIInChI=1S/C8H19BrO2Si/c1-5-8(4)12(9,10-6-2)11-7-3/h8H,5-7H2,1-4H3
InChIKeyXFIIICFDEOBFFE-UHFFFAOYSA-N
MW255.23 g/mol
LogP3.19
Rot. Bonds6

About bromo-butan-2-yl-diethoxysilane

bromo-butan-2-yl-diethoxysilane (PubChem CID 175042762) has the molecular formula C8H19BrO2Si and a molecular weight of 255.23 g/mol. Its IUPAC name is bromo-butan-2-yl-diethoxysilane.

Molecular Properties

Compound Namebromo-butan-2-yl-diethoxysilane
PubChem CID175042762
Molecular FormulaC8H19BrO2Si
Molecular Weight255.23 g/mol
Exact Mass254.03
IUPAC Namebromo-butan-2-yl-diethoxysilane
SMILESCCO[Si](Br)(OCC)C(C)CC
InChIInChI=1S/C8H19BrO2Si/c1-5-8(4)12(9,10-6-2)11-7-3/h8H,5-7H2,1-4H3
InChIKeyXFIIICFDEOBFFE-UHFFFAOYSA-N
XLogP3.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 53.19
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'}

Analyze bromo-butan-2-yl-diethoxysilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bromo-butan-2-yl-dimethoxysilane
CID 175042063
butan-2-yl-bis(ethenyl)-ethoxysilane
CID 87194787
butan-2-yl-butyl-diethoxysilane
CID 23358225
tribromo-[bromo-di(butan-2-yl)silyl]silane
CID 19598849
tribromo-[dibromo(butan-2-yl)silyl]silane
CID 19598837
dibromo-[bromo-butan-2-yl-[dibromo(butan-2-yl)silyl]silyl]-butan-2-ylsilane
CID 19598824
diethoxy-di(propan-2-yl)silane
CID 14048564
tri(butan-2-yl)-tri(butan-2-yl)silyloxysilane
CID 90312866
di(butan-2-yl)-bis(2-methylpropoxy)silane
CID 87459611
triethoxy-(3-ethyl-2-methylpentyl)silane
CID 18696416
di(butan-2-yl)-dimethoxysilane
CID 11687104
N-[(butan-2-ylamino)-diethoxysilyl]butan-2-amine
CID 87634501

Frequently Asked Questions

What is the IUPAC name of bromo-butan-2-yl-diethoxysilane?
The IUPAC name of bromo-butan-2-yl-diethoxysilane (CID 175042762) is bromo-butan-2-yl-diethoxysilane.
What is the SMILES notation for bromo-butan-2-yl-diethoxysilane?
The canonical SMILES for bromo-butan-2-yl-diethoxysilane is CCO[Si](Br)(OCC)C(C)CC.
What is the InChIKey of bromo-butan-2-yl-diethoxysilane?
The InChIKey is XFIIICFDEOBFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19BrO2Si/c1-5-8(4)12(9,10-6-2)11-7-3/h8H,5-7H2,1-4H3.
What are the key properties of bromo-butan-2-yl-diethoxysilane?
bromo-butan-2-yl-diethoxysilane has a molecular weight of 255.23 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-butan-2-yl-diethoxysilane is sourced from PubChem (CID 175042762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).