(7-bromo-2-methylheptan-2-yl)oxy-trimethylsilane

C11H25BrOSi — CID 15674117

IUPAC(7-bromo-2-methylheptan-2-yl)oxy-trimethylsilane
SMILESCC(C)(CCCCCBr)O[Si](C)(C)C
InChIInChI=1S/C11H25BrOSi/c1-11(2,13-14(3,4)5)9-7-6-8-10-12/h6-10H2,1-5H3
InChIKeySHBVBFIYAYAQNJ-UHFFFAOYSA-N
MW281.31 g/mol
LogP4.57
Rot. Bonds7

About (7-bromo-2-methylheptan-2-yl)oxy-trimethylsilane

(7-bromo-2-methylheptan-2-yl)oxy-trimethylsilane (PubChem CID 15674117) has the molecular formula C11H25BrOSi and a molecular weight of 281.31 g/mol. Its IUPAC name is (7-bromo-2-methylheptan-2-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(7-bromo-2-methylheptan-2-yl)oxy-trimethylsilane
PubChem CID15674117
Molecular FormulaC11H25BrOSi
Molecular Weight281.31 g/mol
Exact Mass280.09
IUPAC Name(7-bromo-2-methylheptan-2-yl)oxy-trimethylsilane
SMILESCC(C)(CCCCCBr)O[Si](C)(C)C
InChIInChI=1S/C11H25BrOSi/c1-11(2,13-14(3,4)5)9-7-6-8-10-12/h6-10H2,1-5H3
InChIKeySHBVBFIYAYAQNJ-UHFFFAOYSA-N
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 54.57
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 (7-bromo-2-methylheptan-2-yl)oxy-trimethylsilane?
The IUPAC name of (7-bromo-2-methylheptan-2-yl)oxy-trimethylsilane (CID 15674117) is (7-bromo-2-methylheptan-2-yl)oxy-trimethylsilane.
What is the SMILES notation for (7-bromo-2-methylheptan-2-yl)oxy-trimethylsilane?
The canonical SMILES for (7-bromo-2-methylheptan-2-yl)oxy-trimethylsilane is CC(C)(CCCCCBr)O[Si](C)(C)C.
What is the InChIKey of (7-bromo-2-methylheptan-2-yl)oxy-trimethylsilane?
The InChIKey is SHBVBFIYAYAQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25BrOSi/c1-11(2,13-14(3,4)5)9-7-6-8-10-12/h6-10H2,1-5H3.
What are the key properties of (7-bromo-2-methylheptan-2-yl)oxy-trimethylsilane?
(7-bromo-2-methylheptan-2-yl)oxy-trimethylsilane has a molecular weight of 281.31 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-2-methylheptan-2-yl)oxy-trimethylsilane is sourced from PubChem (CID 15674117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).