(5-bromo-1,1-diethyl-3,4-diphenylsilol-2-yl)-trimethylsilane

C23H29BrSi2 — CID 18983483

IUPAC(5-bromo-1,1-diethyl-3,4-diphenylsilol-2-yl)-trimethylsilane
SMILESCC[Si]1(CC)C(Br)=C(c2ccccc2)C(c2ccccc2)=C1[Si](C)(C)C
InChIInChI=1S/C23H29BrSi2/c1-6-26(7-2)22(24)20(18-14-10-8-11-15-18)21(23(26)25(3,4)5)19-16-12-9-13-17-19/h8-17H,6-7H2,1-5H3
InChIKeyXRBRXUJMVLNGJS-UHFFFAOYSA-N
MW441.56 g/mol
LogP7.70
Rot. Bonds5

About (5-bromo-1,1-diethyl-3,4-diphenylsilol-2-yl)-trimethylsilane

(5-bromo-1,1-diethyl-3,4-diphenylsilol-2-yl)-trimethylsilane (PubChem CID 18983483) has the molecular formula C23H29BrSi2 and a molecular weight of 441.56 g/mol. Its IUPAC name is (5-bromo-1,1-diethyl-3,4-diphenylsilol-2-yl)-trimethylsilane.

Molecular Properties

Compound Name(5-bromo-1,1-diethyl-3,4-diphenylsilol-2-yl)-trimethylsilane
PubChem CID18983483
Molecular FormulaC23H29BrSi2
Molecular Weight441.56 g/mol
Exact Mass440.10
IUPAC Name(5-bromo-1,1-diethyl-3,4-diphenylsilol-2-yl)-trimethylsilane
SMILESCC[Si]1(CC)C(Br)=C(c2ccccc2)C(c2ccccc2)=C1[Si](C)(C)C
InChIInChI=1S/C23H29BrSi2/c1-6-26(7-2)22(24)20(18-14-10-8-11-15-18)21(23(26)25(3,4)5)19-16-12-9-13-17-19/h8-17H,6-7H2,1-5H3
InChIKeyXRBRXUJMVLNGJS-UHFFFAOYSA-N
XLogP7.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.56
LogP ≤ 57.70
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 (5-bromo-1,1-diethyl-3,4-diphenylsilol-2-yl)-trimethylsilane?
The IUPAC name of (5-bromo-1,1-diethyl-3,4-diphenylsilol-2-yl)-trimethylsilane (CID 18983483) is (5-bromo-1,1-diethyl-3,4-diphenylsilol-2-yl)-trimethylsilane.
What is the SMILES notation for (5-bromo-1,1-diethyl-3,4-diphenylsilol-2-yl)-trimethylsilane?
The canonical SMILES for (5-bromo-1,1-diethyl-3,4-diphenylsilol-2-yl)-trimethylsilane is CC[Si]1(CC)C(Br)=C(c2ccccc2)C(c2ccccc2)=C1[Si](C)(C)C.
What is the InChIKey of (5-bromo-1,1-diethyl-3,4-diphenylsilol-2-yl)-trimethylsilane?
The InChIKey is XRBRXUJMVLNGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29BrSi2/c1-6-26(7-2)22(24)20(18-14-10-8-11-15-18)21(23(26)25(3,4)5)19-16-12-9-13-17-19/h8-17H,6-7H2,1-5H3.
What are the key properties of (5-bromo-1,1-diethyl-3,4-diphenylsilol-2-yl)-trimethylsilane?
(5-bromo-1,1-diethyl-3,4-diphenylsilol-2-yl)-trimethylsilane has a molecular weight of 441.56 g/mol, XLogP of 7.70, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1,1-diethyl-3,4-diphenylsilol-2-yl)-trimethylsilane is sourced from PubChem (CID 18983483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).