3-bromopropyl-butoxy-dimethylsilane

C9H21BrOSi — CID 140743893

IUPAC3-bromopropyl-butoxy-dimethylsilane
SMILESCCCCO[Si](C)(C)CCCBr
InChIInChI=1S/C9H21BrOSi/c1-4-5-8-11-12(2,3)9-6-7-10/h4-9H2,1-3H3
InChIKeyDMLLIBHEYKJFLZ-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.79
Rot. Bonds7

About 3-bromopropyl-butoxy-dimethylsilane

3-bromopropyl-butoxy-dimethylsilane (PubChem CID 140743893) has the molecular formula C9H21BrOSi and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-bromopropyl-butoxy-dimethylsilane.

Molecular Properties

Compound Name3-bromopropyl-butoxy-dimethylsilane
PubChem CID140743893
Molecular FormulaC9H21BrOSi
Molecular Weight253.26 g/mol
Exact Mass252.05
IUPAC Name3-bromopropyl-butoxy-dimethylsilane
SMILESCCCCO[Si](C)(C)CCCBr
InChIInChI=1S/C9H21BrOSi/c1-4-5-8-11-12(2,3)9-6-7-10/h4-9H2,1-3H3
InChIKeyDMLLIBHEYKJFLZ-UHFFFAOYSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

6-bromohexoxy-butyl-dimethylsilane
CID 154264730
hexadecoxy-dimethyl-octylsilane
CID 627002
dodecoxy-dimethyl-octylsilane
CID 618139
butyl-dimethyl-octoxysilane
CID 604386
butoxy-dimethyl-propylsilane;butyl-hydroxy-dimethylsilane
CID 174694478
butoxy-dimethyl-propylsilane;isocyanic acid
CID 172732082
3-bromobutoxy-butyl-dimethylsilane
CID 175822567
butyl-dimethyl-(3-nitropropoxy)silane
CID 150865981
dibutoxy-[4-[dibutoxy(methyl)silyl]butyl]-methylsilane
CID 87144867
3-[butoxy(dimethyl)silyl]propyl prop-2-enoate
CID 142550479
2-[3-[butoxy(dimethyl)silyl]propoxy]ethyl 2-bromopropanoate
CID 140886266
4-[butoxy(dimethyl)silyl]butyl prop-2-enoate
CID 151407339

Frequently Asked Questions

What is the IUPAC name of 3-bromopropyl-butoxy-dimethylsilane?
The IUPAC name of 3-bromopropyl-butoxy-dimethylsilane (CID 140743893) is 3-bromopropyl-butoxy-dimethylsilane.
What is the SMILES notation for 3-bromopropyl-butoxy-dimethylsilane?
The canonical SMILES for 3-bromopropyl-butoxy-dimethylsilane is CCCCO[Si](C)(C)CCCBr.
What is the InChIKey of 3-bromopropyl-butoxy-dimethylsilane?
The InChIKey is DMLLIBHEYKJFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21BrOSi/c1-4-5-8-11-12(2,3)9-6-7-10/h4-9H2,1-3H3.
What are the key properties of 3-bromopropyl-butoxy-dimethylsilane?
3-bromopropyl-butoxy-dimethylsilane has a molecular weight of 253.26 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopropyl-butoxy-dimethylsilane is sourced from PubChem (CID 140743893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).