bromomethyl(tritert-butyl)silane

C13H29BrSi — CID 12931033

IUPACbromomethyl(tritert-butyl)silane
SMILESCC(C)(C)[Si](CBr)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H29BrSi/c1-11(2,3)15(10-14,12(4,5)6)13(7,8)9/h10H2,1-9H3
InChIKeyQRHDBUJIDVHADL-UHFFFAOYSA-N
MW293.37 g/mol
LogP5.77
Rot. Bonds1

About bromomethyl(tritert-butyl)silane

bromomethyl(tritert-butyl)silane (PubChem CID 12931033) has the molecular formula C13H29BrSi and a molecular weight of 293.37 g/mol. Its IUPAC name is bromomethyl(tritert-butyl)silane.

Molecular Properties

Compound Namebromomethyl(tritert-butyl)silane
PubChem CID12931033
Molecular FormulaC13H29BrSi
Molecular Weight293.37 g/mol
Exact Mass292.12
IUPAC Namebromomethyl(tritert-butyl)silane
SMILESCC(C)(C)[Si](CBr)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H29BrSi/c1-11(2,3)15(10-14,12(4,5)6)13(7,8)9/h10H2,1-9H3
InChIKeyQRHDBUJIDVHADL-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.37
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 bromomethyl(tritert-butyl)silane?
The IUPAC name of bromomethyl(tritert-butyl)silane (CID 12931033) is bromomethyl(tritert-butyl)silane.
What is the SMILES notation for bromomethyl(tritert-butyl)silane?
The canonical SMILES for bromomethyl(tritert-butyl)silane is CC(C)(C)[Si](CBr)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of bromomethyl(tritert-butyl)silane?
The InChIKey is QRHDBUJIDVHADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29BrSi/c1-11(2,3)15(10-14,12(4,5)6)13(7,8)9/h10H2,1-9H3.
What are the key properties of bromomethyl(tritert-butyl)silane?
bromomethyl(tritert-butyl)silane has a molecular weight of 293.37 g/mol, XLogP of 5.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethyl(tritert-butyl)silane is sourced from PubChem (CID 12931033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).