2-bromo-1H-indene;chloro-(1H-inden-2-yl)-dimethylsilane

C20H20BrClSi — CID 159756975

IUPAC2-bromo-1H-indene;chloro-(1H-inden-2-yl)-dimethylsilane
SMILESBrC1=Cc2ccccc2C1.C[Si](C)(Cl)C1=Cc2ccccc2C1
InChIInChI=1S/C11H13ClSi.C9H7Br/c1-13(2,12)11-7-9-5-3-4-6-10(9)8-11;10-9-5-7-3-1-2-4-8(7)6-9/h3-7H,8H2,1-2H3;1-5H,6H2
InChIKeyNEJVHZLZTSESSC-UHFFFAOYSA-N
MW403.82 g/mol
LogP6.59
Rot. Bonds1

About 2-bromo-1H-indene;chloro-(1H-inden-2-yl)-dimethylsilane

2-bromo-1H-indene;chloro-(1H-inden-2-yl)-dimethylsilane (PubChem CID 159756975) has the molecular formula C20H20BrClSi and a molecular weight of 403.82 g/mol. Its IUPAC name is 2-bromo-1H-indene;chloro-(1H-inden-2-yl)-dimethylsilane.

Molecular Properties

Compound Name2-bromo-1H-indene;chloro-(1H-inden-2-yl)-dimethylsilane
PubChem CID159756975
Molecular FormulaC20H20BrClSi
Molecular Weight403.82 g/mol
Exact Mass402.02
IUPAC Name2-bromo-1H-indene;chloro-(1H-inden-2-yl)-dimethylsilane
SMILESBrC1=Cc2ccccc2C1.C[Si](C)(Cl)C1=Cc2ccccc2C1
InChIInChI=1S/C11H13ClSi.C9H7Br/c1-13(2,12)11-7-9-5-3-4-6-10(9)8-11;10-9-5-7-3-1-2-4-8(7)6-9/h3-7H,8H2,1-2H3;1-5H,6H2
InChIKeyNEJVHZLZTSESSC-UHFFFAOYSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.82
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1H-indene;chloro-(1H-inden-2-yl)-dimethylsilane?
The IUPAC name of 2-bromo-1H-indene;chloro-(1H-inden-2-yl)-dimethylsilane (CID 159756975) is 2-bromo-1H-indene;chloro-(1H-inden-2-yl)-dimethylsilane.
What is the SMILES notation for 2-bromo-1H-indene;chloro-(1H-inden-2-yl)-dimethylsilane?
The canonical SMILES for 2-bromo-1H-indene;chloro-(1H-inden-2-yl)-dimethylsilane is BrC1=Cc2ccccc2C1.C[Si](C)(Cl)C1=Cc2ccccc2C1.
What is the InChIKey of 2-bromo-1H-indene;chloro-(1H-inden-2-yl)-dimethylsilane?
The InChIKey is NEJVHZLZTSESSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClSi.C9H7Br/c1-13(2,12)11-7-9-5-3-4-6-10(9)8-11;10-9-5-7-3-1-2-4-8(7)6-9/h3-7H,8H2,1-2H3;1-5H,6H2.
What are the key properties of 2-bromo-1H-indene;chloro-(1H-inden-2-yl)-dimethylsilane?
2-bromo-1H-indene;chloro-(1H-inden-2-yl)-dimethylsilane has a molecular weight of 403.82 g/mol, XLogP of 6.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1H-indene;chloro-(1H-inden-2-yl)-dimethylsilane is sourced from PubChem (CID 159756975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).