4-bromobutyl(trimethoxy)silane

C7H17BrO3Si — CID 15433593

IUPAC4-bromobutyl(trimethoxy)silane
SMILESCO[Si](CCCCBr)(OC)OC
InChIInChI=1S/C7H17BrO3Si/c1-9-12(10-2,11-3)7-5-4-6-8/h4-7H2,1-3H3
InChIKeyJFTKXYYKYIAPEF-UHFFFAOYSA-N
MW257.20 g/mol
LogP2.04
Rot. Bonds7

About 4-bromobutyl(trimethoxy)silane

4-bromobutyl(trimethoxy)silane (PubChem CID 15433593) has the molecular formula C7H17BrO3Si and a molecular weight of 257.20 g/mol. Its IUPAC name is 4-bromobutyl(trimethoxy)silane.

Molecular Properties

Compound Name4-bromobutyl(trimethoxy)silane
PubChem CID15433593
Molecular FormulaC7H17BrO3Si
Molecular Weight257.20 g/mol
Exact Mass256.01
IUPAC Name4-bromobutyl(trimethoxy)silane
SMILESCO[Si](CCCCBr)(OC)OC
InChIInChI=1S/C7H17BrO3Si/c1-9-12(10-2,11-3)7-5-4-6-8/h4-7H2,1-3H3
InChIKeyJFTKXYYKYIAPEF-UHFFFAOYSA-N
XLogP2.04
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.20
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

25-bromopentacosyl(trimethoxy)silane
CID 87680868
22-bromodocosyl(trimethoxy)silane
CID 87682578
trimethoxy(6-trimethoxysilylhexyl)silane
CID 158013726
3-(11-bromoundecylsulfanyl)propyl-trimethoxysilane
CID 102318715
2-bromoethoxy-dimethoxy-pentylsilane
CID 142614027
18-bromooctadecyl(triethoxy)silane
CID 87686820
36-trimethoxysilylhexatriacontan-1-amine
CID 87680936
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
trimethoxy(pentacontyl)silane
CID 87930715
azane;trimethoxy(pentyl)silane
CID 19608931
dimethoxy-methyl-(4-trimethoxysilylbutyl)silane
CID 87101984
hexacosyl(trimethoxy)silane
CID 150262252

Frequently Asked Questions

What is the IUPAC name of 4-bromobutyl(trimethoxy)silane?
The IUPAC name of 4-bromobutyl(trimethoxy)silane (CID 15433593) is 4-bromobutyl(trimethoxy)silane.
What is the SMILES notation for 4-bromobutyl(trimethoxy)silane?
The canonical SMILES for 4-bromobutyl(trimethoxy)silane is CO[Si](CCCCBr)(OC)OC.
What is the InChIKey of 4-bromobutyl(trimethoxy)silane?
The InChIKey is JFTKXYYKYIAPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17BrO3Si/c1-9-12(10-2,11-3)7-5-4-6-8/h4-7H2,1-3H3.
What are the key properties of 4-bromobutyl(trimethoxy)silane?
4-bromobutyl(trimethoxy)silane has a molecular weight of 257.20 g/mol, XLogP of 2.04, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromobutyl(trimethoxy)silane is sourced from PubChem (CID 15433593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).