4-bromo-2-trimethylsilyloxy-2,3-dihydroinden-1-one

C12H15BrO2Si — CID 22173000

IUPAC4-bromo-2-trimethylsilyloxy-2,3-dihydroinden-1-one
SMILESC[Si](C)(C)OC1Cc2c(Br)cccc2C1=O
InChIInChI=1S/C12H15BrO2Si/c1-16(2,3)15-11-7-9-8(12(11)14)5-4-6-10(9)13/h4-6,11H,7H2,1-3H3
InChIKeyGBMOJZKTEFMUDS-UHFFFAOYSA-N
MW299.24 g/mol
LogP3.41
Rot. Bonds2

About 4-bromo-2-trimethylsilyloxy-2,3-dihydroinden-1-one

4-bromo-2-trimethylsilyloxy-2,3-dihydroinden-1-one (PubChem CID 22173000) has the molecular formula C12H15BrO2Si and a molecular weight of 299.24 g/mol. Its IUPAC name is 4-bromo-2-trimethylsilyloxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-bromo-2-trimethylsilyloxy-2,3-dihydroinden-1-one
PubChem CID22173000
Molecular FormulaC12H15BrO2Si
Molecular Weight299.24 g/mol
Exact Mass298.00
IUPAC Name4-bromo-2-trimethylsilyloxy-2,3-dihydroinden-1-one
SMILESC[Si](C)(C)OC1Cc2c(Br)cccc2C1=O
InChIInChI=1S/C12H15BrO2Si/c1-16(2,3)15-11-7-9-8(12(11)14)5-4-6-10(9)13/h4-6,11H,7H2,1-3H3
InChIKeyGBMOJZKTEFMUDS-UHFFFAOYSA-N
XLogP3.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-bromo-2-trimethylsilyloxy-2,3-dihydroinden-1-one?
The IUPAC name of 4-bromo-2-trimethylsilyloxy-2,3-dihydroinden-1-one (CID 22173000) is 4-bromo-2-trimethylsilyloxy-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-bromo-2-trimethylsilyloxy-2,3-dihydroinden-1-one?
The canonical SMILES for 4-bromo-2-trimethylsilyloxy-2,3-dihydroinden-1-one is C[Si](C)(C)OC1Cc2c(Br)cccc2C1=O.
What is the InChIKey of 4-bromo-2-trimethylsilyloxy-2,3-dihydroinden-1-one?
The InChIKey is GBMOJZKTEFMUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO2Si/c1-16(2,3)15-11-7-9-8(12(11)14)5-4-6-10(9)13/h4-6,11H,7H2,1-3H3.
What are the key properties of 4-bromo-2-trimethylsilyloxy-2,3-dihydroinden-1-one?
4-bromo-2-trimethylsilyloxy-2,3-dihydroinden-1-one has a molecular weight of 299.24 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-trimethylsilyloxy-2,3-dihydroinden-1-one is sourced from PubChem (CID 22173000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).