[2,6-bis(bromomethyl)phenoxy]-tert-butyl-dimethylsilane

C14H22Br2OSi — CID 57301015

IUPAC[2,6-bis(bromomethyl)phenoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1c(CBr)cccc1CBr
InChIInChI=1S/C14H22Br2OSi/c1-14(2,3)18(4,5)17-13-11(9-15)7-6-8-12(13)10-16/h6-8H,9-10H2,1-5H3
InChIKeyNZUYUKKKQGVNEA-UHFFFAOYSA-N
MW394.22 g/mol
LogP5.86
Rot. Bonds4

About [2,6-bis(bromomethyl)phenoxy]-tert-butyl-dimethylsilane

[2,6-bis(bromomethyl)phenoxy]-tert-butyl-dimethylsilane (PubChem CID 57301015) has the molecular formula C14H22Br2OSi and a molecular weight of 394.22 g/mol. Its IUPAC name is [2,6-bis(bromomethyl)phenoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[2,6-bis(bromomethyl)phenoxy]-tert-butyl-dimethylsilane
PubChem CID57301015
Molecular FormulaC14H22Br2OSi
Molecular Weight394.22 g/mol
Exact Mass391.98
IUPAC Name[2,6-bis(bromomethyl)phenoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1c(CBr)cccc1CBr
InChIInChI=1S/C14H22Br2OSi/c1-14(2,3)18(4,5)17-13-11(9-15)7-6-8-12(13)10-16/h6-8H,9-10H2,1-5H3
InChIKeyNZUYUKKKQGVNEA-UHFFFAOYSA-N
XLogP5.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.22
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 [2,6-bis(bromomethyl)phenoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [2,6-bis(bromomethyl)phenoxy]-tert-butyl-dimethylsilane (CID 57301015) is [2,6-bis(bromomethyl)phenoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [2,6-bis(bromomethyl)phenoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [2,6-bis(bromomethyl)phenoxy]-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1c(CBr)cccc1CBr.
What is the InChIKey of [2,6-bis(bromomethyl)phenoxy]-tert-butyl-dimethylsilane?
The InChIKey is NZUYUKKKQGVNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22Br2OSi/c1-14(2,3)18(4,5)17-13-11(9-15)7-6-8-12(13)10-16/h6-8H,9-10H2,1-5H3.
What are the key properties of [2,6-bis(bromomethyl)phenoxy]-tert-butyl-dimethylsilane?
[2,6-bis(bromomethyl)phenoxy]-tert-butyl-dimethylsilane has a molecular weight of 394.22 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-bis(bromomethyl)phenoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 57301015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).