[3-bromo-2-(methoxymethoxy)phenyl]-tert-butyl-dimethylsilane

C14H23BrO2Si — CID 139719347

IUPAC[3-bromo-2-(methoxymethoxy)phenyl]-tert-butyl-dimethylsilane
SMILESCOCOc1c(Br)cccc1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H23BrO2Si/c1-14(2,3)18(5,6)12-9-7-8-11(15)13(12)17-10-16-4/h7-9H,10H2,1-6H3
InChIKeySHOGJSRXPZRMDM-UHFFFAOYSA-N
MW331.33 g/mol
LogP4.15
Rot. Bonds4

About [3-bromo-2-(methoxymethoxy)phenyl]-tert-butyl-dimethylsilane

[3-bromo-2-(methoxymethoxy)phenyl]-tert-butyl-dimethylsilane (PubChem CID 139719347) has the molecular formula C14H23BrO2Si and a molecular weight of 331.33 g/mol. Its IUPAC name is [3-bromo-2-(methoxymethoxy)phenyl]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[3-bromo-2-(methoxymethoxy)phenyl]-tert-butyl-dimethylsilane
PubChem CID139719347
Molecular FormulaC14H23BrO2Si
Molecular Weight331.33 g/mol
Exact Mass330.07
IUPAC Name[3-bromo-2-(methoxymethoxy)phenyl]-tert-butyl-dimethylsilane
SMILESCOCOc1c(Br)cccc1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H23BrO2Si/c1-14(2,3)18(5,6)12-9-7-8-11(15)13(12)17-10-16-4/h7-9H,10H2,1-6H3
InChIKeySHOGJSRXPZRMDM-UHFFFAOYSA-N
XLogP4.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [3-bromo-2-(methoxymethoxy)phenyl]-tert-butyl-dimethylsilane?
The IUPAC name of [3-bromo-2-(methoxymethoxy)phenyl]-tert-butyl-dimethylsilane (CID 139719347) is [3-bromo-2-(methoxymethoxy)phenyl]-tert-butyl-dimethylsilane.
What is the SMILES notation for [3-bromo-2-(methoxymethoxy)phenyl]-tert-butyl-dimethylsilane?
The canonical SMILES for [3-bromo-2-(methoxymethoxy)phenyl]-tert-butyl-dimethylsilane is COCOc1c(Br)cccc1[Si](C)(C)C(C)(C)C.
What is the InChIKey of [3-bromo-2-(methoxymethoxy)phenyl]-tert-butyl-dimethylsilane?
The InChIKey is SHOGJSRXPZRMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrO2Si/c1-14(2,3)18(5,6)12-9-7-8-11(15)13(12)17-10-16-4/h7-9H,10H2,1-6H3.
What are the key properties of [3-bromo-2-(methoxymethoxy)phenyl]-tert-butyl-dimethylsilane?
[3-bromo-2-(methoxymethoxy)phenyl]-tert-butyl-dimethylsilane has a molecular weight of 331.33 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-2-(methoxymethoxy)phenyl]-tert-butyl-dimethylsilane is sourced from PubChem (CID 139719347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).