3-tripropylsilylfuran-2,5-dione

C13H22O3Si — CID 176549503

IUPAC3-tripropylsilylfuran-2,5-dione
SMILESCCC[Si](CCC)(CCC)C1=CC(=O)OC1=O
InChIInChI=1S/C13H22O3Si/c1-4-7-17(8-5-2,9-6-3)11-10-12(14)16-13(11)15/h10H,4-9H2,1-3H3
InChIKeyWSTVJIFMFCDDAG-UHFFFAOYSA-N
MW254.40 g/mol
LogP3.21
Rot. Bonds7

About 3-tripropylsilylfuran-2,5-dione

3-tripropylsilylfuran-2,5-dione (PubChem CID 176549503) has the molecular formula C13H22O3Si and a molecular weight of 254.40 g/mol. Its IUPAC name is 3-tripropylsilylfuran-2,5-dione.

Molecular Properties

Compound Name3-tripropylsilylfuran-2,5-dione
PubChem CID176549503
Molecular FormulaC13H22O3Si
Molecular Weight254.40 g/mol
Exact Mass254.13
IUPAC Name3-tripropylsilylfuran-2,5-dione
SMILESCCC[Si](CCC)(CCC)C1=CC(=O)OC1=O
InChIInChI=1S/C13H22O3Si/c1-4-7-17(8-5-2,9-6-3)11-10-12(14)16-13(11)15/h10H,4-9H2,1-3H3
InChIKeyWSTVJIFMFCDDAG-UHFFFAOYSA-N
XLogP3.21
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-4-trimethylsilylbut-2-enoate
CID 13185411
ethyl 5-trimethylsilyl-(E)-2-penten-4-ynoate
CID 12398706
ethyl (Z)-5-trimethylsilylpent-2-en-4-ynoate
CID 135015774
3-[Fluoro(dimethyl)silyl]propyl but-2-enoate
CID 141187154
3-Trimethylsilylfuran-2,5-dione
CID 12736479
4-trimethylsilyl-2H-furan-5-one
CID 11506491
ethyl (E)-2-trimethylsilylbut-2-enoate
CID 12697929
ethyl (E)-3-trimethylsilylbut-2-enoate
CID 13087507
methyl (E)-4-trimethylsilylbut-2-enoate
CID 14120006
3,4-Bis(trimethylsilyl)furan-2,5-dione
CID 14979598
tert-butyl (Z)-2-trimethylsilylbut-2-enoate
CID 92014908
ethyl (E)-2-triethylsilylbut-2-enoate
CID 102499701

Frequently Asked Questions

What is the IUPAC name of 3-tripropylsilylfuran-2,5-dione?
The IUPAC name of 3-tripropylsilylfuran-2,5-dione (CID 176549503) is 3-tripropylsilylfuran-2,5-dione.
What is the SMILES notation for 3-tripropylsilylfuran-2,5-dione?
The canonical SMILES for 3-tripropylsilylfuran-2,5-dione is CCC[Si](CCC)(CCC)C1=CC(=O)OC1=O.
What is the InChIKey of 3-tripropylsilylfuran-2,5-dione?
The InChIKey is WSTVJIFMFCDDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3Si/c1-4-7-17(8-5-2,9-6-3)11-10-12(14)16-13(11)15/h10H,4-9H2,1-3H3.
What are the key properties of 3-tripropylsilylfuran-2,5-dione?
3-tripropylsilylfuran-2,5-dione has a molecular weight of 254.40 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tripropylsilylfuran-2,5-dione is sourced from PubChem (CID 176549503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).