3-bromo-2-(2-trimethylsilylethoxy)-2H-furan-5-one

C9H15BrO3Si — CID 11044127

IUPAC3-bromo-2-(2-trimethylsilylethoxy)-2H-furan-5-one
SMILESC[Si](C)(C)CCOC1OC(=O)C=C1Br
InChIInChI=1S/C9H15BrO3Si/c1-14(2,3)5-4-12-9-7(10)6-8(11)13-9/h6,9H,4-5H2,1-3H3
InChIKeyJVQYAHLHZUCSRT-UHFFFAOYSA-N
MW279.21 g/mol
LogP2.50
Rot. Bonds4

About 3-bromo-2-(2-trimethylsilylethoxy)-2H-furan-5-one

3-bromo-2-(2-trimethylsilylethoxy)-2H-furan-5-one (PubChem CID 11044127) has the molecular formula C9H15BrO3Si and a molecular weight of 279.21 g/mol. Its IUPAC name is 3-bromo-2-(2-trimethylsilylethoxy)-2H-furan-5-one.

Molecular Properties

Compound Name3-bromo-2-(2-trimethylsilylethoxy)-2H-furan-5-one
PubChem CID11044127
Molecular FormulaC9H15BrO3Si
Molecular Weight279.21 g/mol
Exact Mass278.00
IUPAC Name3-bromo-2-(2-trimethylsilylethoxy)-2H-furan-5-one
SMILESC[Si](C)(C)CCOC1OC(=O)C=C1Br
InChIInChI=1S/C9H15BrO3Si/c1-14(2,3)5-4-12-9-7(10)6-8(11)13-9/h6,9H,4-5H2,1-3H3
InChIKeyJVQYAHLHZUCSRT-UHFFFAOYSA-N
XLogP2.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.21
LogP ≤ 52.50
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

4-Bromo-5-ethoxy-2,5-dihydrofuran-2-one
CID 12423224
2(5H)-Furanone, 4-bromo-5-methoxy-
CID 11019703
(2R)-3-bromo-2-ethoxy-2H-furan-5-one
CID 59730899
3-bromo-2-ethoxy-2H-furan-5-one;methane
CID 159785709
2-ethoxy-3-(methylidene-lambda3-bromanyl)-2H-furan-5-one
CID 163719101
2-methoxy-3-trimethylsilyl-2H-furan-5-one
CID 49818388
(2S)-3-bromo-2-ethoxy-2H-furan-5-one
CID 86307616
(2S)-3-bromo-2-methoxy-2H-furan-5-one
CID 86337704
(2R)-3-bromo-2-methoxy-2H-furan-5-one
CID 86337705
2-propan-2-yloxy-3-trimethylsilyl-2H-furan-5-one
CID 102049727

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(2-trimethylsilylethoxy)-2H-furan-5-one?
The IUPAC name of 3-bromo-2-(2-trimethylsilylethoxy)-2H-furan-5-one (CID 11044127) is 3-bromo-2-(2-trimethylsilylethoxy)-2H-furan-5-one.
What is the SMILES notation for 3-bromo-2-(2-trimethylsilylethoxy)-2H-furan-5-one?
The canonical SMILES for 3-bromo-2-(2-trimethylsilylethoxy)-2H-furan-5-one is C[Si](C)(C)CCOC1OC(=O)C=C1Br.
What is the InChIKey of 3-bromo-2-(2-trimethylsilylethoxy)-2H-furan-5-one?
The InChIKey is JVQYAHLHZUCSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrO3Si/c1-14(2,3)5-4-12-9-7(10)6-8(11)13-9/h6,9H,4-5H2,1-3H3.
What are the key properties of 3-bromo-2-(2-trimethylsilylethoxy)-2H-furan-5-one?
3-bromo-2-(2-trimethylsilylethoxy)-2H-furan-5-one has a molecular weight of 279.21 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(2-trimethylsilylethoxy)-2H-furan-5-one is sourced from PubChem (CID 11044127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).