(8-bromo-3-methyloctan-2-yl)oxy-trimethylsilane

C12H27BrOSi — CID 19766104

IUPAC(8-bromo-3-methyloctan-2-yl)oxy-trimethylsilane
SMILESCC(CCCCCBr)C(C)O[Si](C)(C)C
InChIInChI=1S/C12H27BrOSi/c1-11(9-7-6-8-10-13)12(2)14-15(3,4)5/h11-12H,6-10H2,1-5H3
InChIKeyIKYASMKEIUKLRW-UHFFFAOYSA-N
MW295.34 g/mol
LogP4.82
Rot. Bonds8

About (8-bromo-3-methyloctan-2-yl)oxy-trimethylsilane

(8-bromo-3-methyloctan-2-yl)oxy-trimethylsilane (PubChem CID 19766104) has the molecular formula C12H27BrOSi and a molecular weight of 295.34 g/mol. Its IUPAC name is (8-bromo-3-methyloctan-2-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(8-bromo-3-methyloctan-2-yl)oxy-trimethylsilane
PubChem CID19766104
Molecular FormulaC12H27BrOSi
Molecular Weight295.34 g/mol
Exact Mass294.10
IUPAC Name(8-bromo-3-methyloctan-2-yl)oxy-trimethylsilane
SMILESCC(CCCCCBr)C(C)O[Si](C)(C)C
InChIInChI=1S/C12H27BrOSi/c1-11(9-7-6-8-10-13)12(2)14-15(3,4)5/h11-12H,6-10H2,1-5H3
InChIKeyIKYASMKEIUKLRW-UHFFFAOYSA-N
XLogP4.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 54.82
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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Frequently Asked Questions

What is the IUPAC name of (8-bromo-3-methyloctan-2-yl)oxy-trimethylsilane?
The IUPAC name of (8-bromo-3-methyloctan-2-yl)oxy-trimethylsilane (CID 19766104) is (8-bromo-3-methyloctan-2-yl)oxy-trimethylsilane.
What is the SMILES notation for (8-bromo-3-methyloctan-2-yl)oxy-trimethylsilane?
The canonical SMILES for (8-bromo-3-methyloctan-2-yl)oxy-trimethylsilane is CC(CCCCCBr)C(C)O[Si](C)(C)C.
What is the InChIKey of (8-bromo-3-methyloctan-2-yl)oxy-trimethylsilane?
The InChIKey is IKYASMKEIUKLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27BrOSi/c1-11(9-7-6-8-10-13)12(2)14-15(3,4)5/h11-12H,6-10H2,1-5H3.
What are the key properties of (8-bromo-3-methyloctan-2-yl)oxy-trimethylsilane?
(8-bromo-3-methyloctan-2-yl)oxy-trimethylsilane has a molecular weight of 295.34 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8-bromo-3-methyloctan-2-yl)oxy-trimethylsilane is sourced from PubChem (CID 19766104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).