(7-bromo-3-ethylheptan-3-yl)oxy-trimethylsilane

C12H27BrOSi — CID 23361956

IUPAC(7-bromo-3-ethylheptan-3-yl)oxy-trimethylsilane
SMILESCCC(CC)(CCCCBr)O[Si](C)(C)C
InChIInChI=1S/C12H27BrOSi/c1-6-12(7-2,10-8-9-11-13)14-15(3,4)5/h6-11H2,1-5H3
InChIKeyPDFVXJKQWWSSHR-UHFFFAOYSA-N
MW295.34 g/mol
LogP4.96
Rot. Bonds8

About (7-bromo-3-ethylheptan-3-yl)oxy-trimethylsilane

(7-bromo-3-ethylheptan-3-yl)oxy-trimethylsilane (PubChem CID 23361956) has the molecular formula C12H27BrOSi and a molecular weight of 295.34 g/mol. Its IUPAC name is (7-bromo-3-ethylheptan-3-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(7-bromo-3-ethylheptan-3-yl)oxy-trimethylsilane
PubChem CID23361956
Molecular FormulaC12H27BrOSi
Molecular Weight295.34 g/mol
Exact Mass294.10
IUPAC Name(7-bromo-3-ethylheptan-3-yl)oxy-trimethylsilane
SMILESCCC(CC)(CCCCBr)O[Si](C)(C)C
InChIInChI=1S/C12H27BrOSi/c1-6-12(7-2,10-8-9-11-13)14-15(3,4)5/h6-11H2,1-5H3
InChIKeyPDFVXJKQWWSSHR-UHFFFAOYSA-N
XLogP4.96
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 ≤ 54.96
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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Frequently Asked Questions

What is the IUPAC name of (7-bromo-3-ethylheptan-3-yl)oxy-trimethylsilane?
The IUPAC name of (7-bromo-3-ethylheptan-3-yl)oxy-trimethylsilane (CID 23361956) is (7-bromo-3-ethylheptan-3-yl)oxy-trimethylsilane.
What is the SMILES notation for (7-bromo-3-ethylheptan-3-yl)oxy-trimethylsilane?
The canonical SMILES for (7-bromo-3-ethylheptan-3-yl)oxy-trimethylsilane is CCC(CC)(CCCCBr)O[Si](C)(C)C.
What is the InChIKey of (7-bromo-3-ethylheptan-3-yl)oxy-trimethylsilane?
The InChIKey is PDFVXJKQWWSSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27BrOSi/c1-6-12(7-2,10-8-9-11-13)14-15(3,4)5/h6-11H2,1-5H3.
What are the key properties of (7-bromo-3-ethylheptan-3-yl)oxy-trimethylsilane?
(7-bromo-3-ethylheptan-3-yl)oxy-trimethylsilane has a molecular weight of 295.34 g/mol, XLogP of 4.96, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-3-ethylheptan-3-yl)oxy-trimethylsilane is sourced from PubChem (CID 23361956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).