1-(5-triethylsilylfuran-3-yl)propan-1-one

C13H22O2Si — CID 19991601

IUPAC1-(5-triethylsilylfuran-3-yl)propan-1-one
SMILESCCC(=O)c1coc([Si](CC)(CC)CC)c1
InChIInChI=1S/C13H22O2Si/c1-5-12(14)11-9-13(15-10-11)16(6-2,7-3)8-4/h9-10H,5-8H2,1-4H3
InChIKeyTXAOYIGHXCVVAT-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.59
Rot. Bonds6

About 1-(5-triethylsilylfuran-3-yl)propan-1-one

1-(5-triethylsilylfuran-3-yl)propan-1-one (PubChem CID 19991601) has the molecular formula C13H22O2Si and a molecular weight of 238.40 g/mol. Its IUPAC name is 1-(5-triethylsilylfuran-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-triethylsilylfuran-3-yl)propan-1-one
PubChem CID19991601
Molecular FormulaC13H22O2Si
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name1-(5-triethylsilylfuran-3-yl)propan-1-one
SMILESCCC(=O)c1coc([Si](CC)(CC)CC)c1
InChIInChI=1S/C13H22O2Si/c1-5-12(14)11-9-13(15-10-11)16(6-2,7-3)8-4/h9-10H,5-8H2,1-4H3
InChIKeyTXAOYIGHXCVVAT-UHFFFAOYSA-N
XLogP3.59
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.59
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 1-(5-triethylsilylfuran-3-yl)propan-1-one?
The IUPAC name of 1-(5-triethylsilylfuran-3-yl)propan-1-one (CID 19991601) is 1-(5-triethylsilylfuran-3-yl)propan-1-one.
What is the SMILES notation for 1-(5-triethylsilylfuran-3-yl)propan-1-one?
The canonical SMILES for 1-(5-triethylsilylfuran-3-yl)propan-1-one is CCC(=O)c1coc([Si](CC)(CC)CC)c1.
What is the InChIKey of 1-(5-triethylsilylfuran-3-yl)propan-1-one?
The InChIKey is TXAOYIGHXCVVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2Si/c1-5-12(14)11-9-13(15-10-11)16(6-2,7-3)8-4/h9-10H,5-8H2,1-4H3.
What are the key properties of 1-(5-triethylsilylfuran-3-yl)propan-1-one?
1-(5-triethylsilylfuran-3-yl)propan-1-one has a molecular weight of 238.40 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-triethylsilylfuran-3-yl)propan-1-one is sourced from PubChem (CID 19991601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).