6-bromohexoxy-butyl-dimethylsilane

C12H27BrOSi — CID 154264730

IUPAC6-bromohexoxy-butyl-dimethylsilane
SMILESCCCC[Si](C)(C)OCCCCCCBr
InChIInChI=1S/C12H27BrOSi/c1-4-5-12-15(2,3)14-11-9-7-6-8-10-13/h4-12H2,1-3H3
InChIKeyGXTPIHFTXOYCNI-UHFFFAOYSA-N
MW295.34 g/mol
LogP4.96
Rot. Bonds10

About 6-bromohexoxy-butyl-dimethylsilane

6-bromohexoxy-butyl-dimethylsilane (PubChem CID 154264730) has the molecular formula C12H27BrOSi and a molecular weight of 295.34 g/mol. Its IUPAC name is 6-bromohexoxy-butyl-dimethylsilane.

Molecular Properties

Compound Name6-bromohexoxy-butyl-dimethylsilane
PubChem CID154264730
Molecular FormulaC12H27BrOSi
Molecular Weight295.34 g/mol
Exact Mass294.10
IUPAC Name6-bromohexoxy-butyl-dimethylsilane
SMILESCCCC[Si](C)(C)OCCCCCCBr
InChIInChI=1S/C12H27BrOSi/c1-4-5-12-15(2,3)14-11-9-7-6-8-10-13/h4-12H2,1-3H3
InChIKeyGXTPIHFTXOYCNI-UHFFFAOYSA-N
XLogP4.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 54.96
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

butyl-dimethyl-octoxysilane
CID 604386
3-bromopropyl-butoxy-dimethylsilane
CID 140743893
dodecoxy-dimethyl-octylsilane
CID 618139
hexadecoxy-dimethyl-octylsilane
CID 627002
11-bromoundecyl-dibutyl-methylsilane
CID 162391784
hexoxy-dimethyl-nonoxysilane
CID 91741085
hexoxy-dimethyl-undecoxysilane
CID 91742305
3-bromobutoxy-butyl-dimethylsilane
CID 175822567
1-bromo-8-butoxyoctane
CID 88564770
1-bromo-7-heptoxyheptane
CID 59707760
1-(6-bromohexoxy)decane
CID 163381140
chloromethyl-dimethyl-tetradecoxysilane
CID 554899

Frequently Asked Questions

What is the IUPAC name of 6-bromohexoxy-butyl-dimethylsilane?
The IUPAC name of 6-bromohexoxy-butyl-dimethylsilane (CID 154264730) is 6-bromohexoxy-butyl-dimethylsilane.
What is the SMILES notation for 6-bromohexoxy-butyl-dimethylsilane?
The canonical SMILES for 6-bromohexoxy-butyl-dimethylsilane is CCCC[Si](C)(C)OCCCCCCBr.
What is the InChIKey of 6-bromohexoxy-butyl-dimethylsilane?
The InChIKey is GXTPIHFTXOYCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27BrOSi/c1-4-5-12-15(2,3)14-11-9-7-6-8-10-13/h4-12H2,1-3H3.
What are the key properties of 6-bromohexoxy-butyl-dimethylsilane?
6-bromohexoxy-butyl-dimethylsilane has a molecular weight of 295.34 g/mol, XLogP of 4.96, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromohexoxy-butyl-dimethylsilane is sourced from PubChem (CID 154264730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).