[4-bromo-3,5-bis(methoxymethoxy)phenoxy]-tert-butyl-dimethylsilane

C16H27BrO5Si — CID 11327251

IUPAC[4-bromo-3,5-bis(methoxymethoxy)phenoxy]-tert-butyl-dimethylsilane
SMILESCOCOc1cc(O[Si](C)(C)C(C)(C)C)cc(OCOC)c1Br
InChIInChI=1S/C16H27BrO5Si/c1-16(2,3)23(6,7)22-12-8-13(20-10-18-4)15(17)14(9-12)21-11-19-5/h8-9H,10-11H2,1-7H3
InChIKeyVEIUASVFEBDSFW-UHFFFAOYSA-N
MW407.38 g/mol
LogP4.80
Rot. Bonds8

About [4-bromo-3,5-bis(methoxymethoxy)phenoxy]-tert-butyl-dimethylsilane

[4-bromo-3,5-bis(methoxymethoxy)phenoxy]-tert-butyl-dimethylsilane (PubChem CID 11327251) has the molecular formula C16H27BrO5Si and a molecular weight of 407.38 g/mol. Its IUPAC name is [4-bromo-3,5-bis(methoxymethoxy)phenoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[4-bromo-3,5-bis(methoxymethoxy)phenoxy]-tert-butyl-dimethylsilane
PubChem CID11327251
Molecular FormulaC16H27BrO5Si
Molecular Weight407.38 g/mol
Exact Mass406.08
IUPAC Name[4-bromo-3,5-bis(methoxymethoxy)phenoxy]-tert-butyl-dimethylsilane
SMILESCOCOc1cc(O[Si](C)(C)C(C)(C)C)cc(OCOC)c1Br
InChIInChI=1S/C16H27BrO5Si/c1-16(2,3)23(6,7)22-12-8-13(20-10-18-4)15(17)14(9-12)21-11-19-5/h8-9H,10-11H2,1-7H3
InChIKeyVEIUASVFEBDSFW-UHFFFAOYSA-N
XLogP4.80
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.38
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-bromo-3,5-bis(methoxymethoxy)phenoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [4-bromo-3,5-bis(methoxymethoxy)phenoxy]-tert-butyl-dimethylsilane (CID 11327251) is [4-bromo-3,5-bis(methoxymethoxy)phenoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [4-bromo-3,5-bis(methoxymethoxy)phenoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [4-bromo-3,5-bis(methoxymethoxy)phenoxy]-tert-butyl-dimethylsilane is COCOc1cc(O[Si](C)(C)C(C)(C)C)cc(OCOC)c1Br.
What is the InChIKey of [4-bromo-3,5-bis(methoxymethoxy)phenoxy]-tert-butyl-dimethylsilane?
The InChIKey is VEIUASVFEBDSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrO5Si/c1-16(2,3)23(6,7)22-12-8-13(20-10-18-4)15(17)14(9-12)21-11-19-5/h8-9H,10-11H2,1-7H3.
What are the key properties of [4-bromo-3,5-bis(methoxymethoxy)phenoxy]-tert-butyl-dimethylsilane?
[4-bromo-3,5-bis(methoxymethoxy)phenoxy]-tert-butyl-dimethylsilane has a molecular weight of 407.38 g/mol, XLogP of 4.80, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-3,5-bis(methoxymethoxy)phenoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 11327251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).