3-bromo-7-trimethylsilylfuro[2,3-c]pyran-2-one

C10H11BrO3Si — CID 24879421

IUPAC3-bromo-7-trimethylsilylfuro[2,3-c]pyran-2-one
SMILESC[Si](C)(C)c1occc2c(Br)c(=O)oc1-2
InChIInChI=1S/C10H11BrO3Si/c1-15(2,3)10-8-6(4-5-13-10)7(11)9(12)14-8/h4-5H,1-3H3
InChIKeyHELCKFFYYLAOGH-UHFFFAOYSA-N
MW287.19 g/mol
LogP2.65
Rot. Bonds1

About 3-bromo-7-trimethylsilylfuro[2,3-c]pyran-2-one

3-bromo-7-trimethylsilylfuro[2,3-c]pyran-2-one (PubChem CID 24879421) has the molecular formula C10H11BrO3Si and a molecular weight of 287.19 g/mol. Its IUPAC name is 3-bromo-7-trimethylsilylfuro[2,3-c]pyran-2-one.

Molecular Properties

Compound Name3-bromo-7-trimethylsilylfuro[2,3-c]pyran-2-one
PubChem CID24879421
Molecular FormulaC10H11BrO3Si
Molecular Weight287.19 g/mol
Exact Mass285.97
IUPAC Name3-bromo-7-trimethylsilylfuro[2,3-c]pyran-2-one
SMILESC[Si](C)(C)c1occc2c(Br)c(=O)oc1-2
InChIInChI=1S/C10H11BrO3Si/c1-15(2,3)10-8-6(4-5-13-10)7(11)9(12)14-8/h4-5H,1-3H3
InChIKeyHELCKFFYYLAOGH-UHFFFAOYSA-N
XLogP2.65
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-trimethylsilylfuro[2,3-c]pyran-2-one
CID 24879420
6-bromo-5-hydroxy-4-methoxyfuro[3,2-g]chromen-7-one
CID 54718203
1-methyl-1-oxofuro[3,2-d][1,2]thiazol-3-one
CID 166042446
3-methyl-2-oxopyran-4-carbaldehyde
CID 11275038
3-bromo-4-(4-methylsulfanylphenyl)-6-(trifluoromethyl)pyran-2-one
CID 18414735
2-bromo-5-(2-bromofuran-3-yl)-1,3,4-oxadiazole
CID 106856548
3-bromo-6-methyl-4-(4-methylsulfanylphenyl)pyran-2-one
CID 18414747
3-bromo-2-(3-bromofuran-2-yl)furan
CID 626140
benzo[g][1]benzofuran-4,5-dione
CID 598522
2-triethylsilylfuran-3-carbaldehyde
CID 15744577
3,4-dimethylpyran-2-one
CID 13348275
1-[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106855921

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-trimethylsilylfuro[2,3-c]pyran-2-one?
The IUPAC name of 3-bromo-7-trimethylsilylfuro[2,3-c]pyran-2-one (CID 24879421) is 3-bromo-7-trimethylsilylfuro[2,3-c]pyran-2-one.
What is the SMILES notation for 3-bromo-7-trimethylsilylfuro[2,3-c]pyran-2-one?
The canonical SMILES for 3-bromo-7-trimethylsilylfuro[2,3-c]pyran-2-one is C[Si](C)(C)c1occc2c(Br)c(=O)oc1-2.
What is the InChIKey of 3-bromo-7-trimethylsilylfuro[2,3-c]pyran-2-one?
The InChIKey is HELCKFFYYLAOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO3Si/c1-15(2,3)10-8-6(4-5-13-10)7(11)9(12)14-8/h4-5H,1-3H3.
What are the key properties of 3-bromo-7-trimethylsilylfuro[2,3-c]pyran-2-one?
3-bromo-7-trimethylsilylfuro[2,3-c]pyran-2-one has a molecular weight of 287.19 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-trimethylsilylfuro[2,3-c]pyran-2-one is sourced from PubChem (CID 24879421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).