[(4-bromophenyl)-bis(trimethylsilyl)methyl]-trimethylsilane

C16H31BrSi3 — CID 552187

IUPAC[(4-bromophenyl)-bis(trimethylsilyl)methyl]-trimethylsilane
SMILESC[Si](C)(C)C(c1ccc(Br)cc1)([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C16H31BrSi3/c1-18(2,3)16(19(4,5)6,20(7,8)9)14-10-12-15(17)13-11-14/h10-13H,1-9H3
InChIKeyJQTZYVKQUHQRSU-UHFFFAOYSA-N
MW387.59 g/mol
LogP6.32
Rot. Bonds4

About [(4-bromophenyl)-bis(trimethylsilyl)methyl]-trimethylsilane

[(4-bromophenyl)-bis(trimethylsilyl)methyl]-trimethylsilane (PubChem CID 552187) has the molecular formula C16H31BrSi3 and a molecular weight of 387.59 g/mol. Its IUPAC name is [(4-bromophenyl)-bis(trimethylsilyl)methyl]-trimethylsilane.

Molecular Properties

Compound Name[(4-bromophenyl)-bis(trimethylsilyl)methyl]-trimethylsilane
PubChem CID552187
Molecular FormulaC16H31BrSi3
Molecular Weight387.59 g/mol
Exact Mass386.09
IUPAC Name[(4-bromophenyl)-bis(trimethylsilyl)methyl]-trimethylsilane
SMILESC[Si](C)(C)C(c1ccc(Br)cc1)([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C16H31BrSi3/c1-18(2,3)16(19(4,5)6,20(7,8)9)14-10-12-15(17)13-11-14/h10-13H,1-9H3
InChIKeyJQTZYVKQUHQRSU-UHFFFAOYSA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.59
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(4-bromophenyl)-bis(trimethylsilyl)methyl]-trimethylsilane?
The IUPAC name of [(4-bromophenyl)-bis(trimethylsilyl)methyl]-trimethylsilane (CID 552187) is [(4-bromophenyl)-bis(trimethylsilyl)methyl]-trimethylsilane.
What is the SMILES notation for [(4-bromophenyl)-bis(trimethylsilyl)methyl]-trimethylsilane?
The canonical SMILES for [(4-bromophenyl)-bis(trimethylsilyl)methyl]-trimethylsilane is C[Si](C)(C)C(c1ccc(Br)cc1)([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of [(4-bromophenyl)-bis(trimethylsilyl)methyl]-trimethylsilane?
The InChIKey is JQTZYVKQUHQRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31BrSi3/c1-18(2,3)16(19(4,5)6,20(7,8)9)14-10-12-15(17)13-11-14/h10-13H,1-9H3.
What are the key properties of [(4-bromophenyl)-bis(trimethylsilyl)methyl]-trimethylsilane?
[(4-bromophenyl)-bis(trimethylsilyl)methyl]-trimethylsilane has a molecular weight of 387.59 g/mol, XLogP of 6.32, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromophenyl)-bis(trimethylsilyl)methyl]-trimethylsilane is sourced from PubChem (CID 552187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).