(8-bromo-4-propyloctan-4-yl)oxy-trimethylsilane

C14H31BrOSi — CID 19766110

IUPAC(8-bromo-4-propyloctan-4-yl)oxy-trimethylsilane
SMILESCCCC(CCC)(CCCCBr)O[Si](C)(C)C
InChIInChI=1S/C14H31BrOSi/c1-6-10-14(11-7-2,12-8-9-13-15)16-17(3,4)5/h6-13H2,1-5H3
InChIKeyKWYAYHBNCAKXAI-UHFFFAOYSA-N
MW323.39 g/mol
LogP5.74
Rot. Bonds10

About (8-bromo-4-propyloctan-4-yl)oxy-trimethylsilane

(8-bromo-4-propyloctan-4-yl)oxy-trimethylsilane (PubChem CID 19766110) has the molecular formula C14H31BrOSi and a molecular weight of 323.39 g/mol. Its IUPAC name is (8-bromo-4-propyloctan-4-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(8-bromo-4-propyloctan-4-yl)oxy-trimethylsilane
PubChem CID19766110
Molecular FormulaC14H31BrOSi
Molecular Weight323.39 g/mol
Exact Mass322.13
IUPAC Name(8-bromo-4-propyloctan-4-yl)oxy-trimethylsilane
SMILESCCCC(CCC)(CCCCBr)O[Si](C)(C)C
InChIInChI=1S/C14H31BrOSi/c1-6-10-14(11-7-2,12-8-9-13-15)16-17(3,4)5/h6-13H2,1-5H3
InChIKeyKWYAYHBNCAKXAI-UHFFFAOYSA-N
XLogP5.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.39
LogP ≤ 55.74
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-4-propyloctan-4-yl)oxy-trimethylsilane?
The IUPAC name of (8-bromo-4-propyloctan-4-yl)oxy-trimethylsilane (CID 19766110) is (8-bromo-4-propyloctan-4-yl)oxy-trimethylsilane.
What is the SMILES notation for (8-bromo-4-propyloctan-4-yl)oxy-trimethylsilane?
The canonical SMILES for (8-bromo-4-propyloctan-4-yl)oxy-trimethylsilane is CCCC(CCC)(CCCCBr)O[Si](C)(C)C.
What is the InChIKey of (8-bromo-4-propyloctan-4-yl)oxy-trimethylsilane?
The InChIKey is KWYAYHBNCAKXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31BrOSi/c1-6-10-14(11-7-2,12-8-9-13-15)16-17(3,4)5/h6-13H2,1-5H3.
What are the key properties of (8-bromo-4-propyloctan-4-yl)oxy-trimethylsilane?
(8-bromo-4-propyloctan-4-yl)oxy-trimethylsilane has a molecular weight of 323.39 g/mol, XLogP of 5.74, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8-bromo-4-propyloctan-4-yl)oxy-trimethylsilane is sourced from PubChem (CID 19766110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).