3-(4-trimethylsilyloxy-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one

C12H18O4Si — CID 15765572

IUPAC3-(4-trimethylsilyloxy-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one
SMILESC[Si](C)(C)OC1=CCOC(C2=CC(=O)OC2)C1
InChIInChI=1S/C12H18O4Si/c1-17(2,3)16-10-4-5-14-11(7-10)9-6-12(13)15-8-9/h4,6,11H,5,7-8H2,1-3H3
InChIKeyLAQLOQCDGXAHSB-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.99
Rot. Bonds3

About 3-(4-trimethylsilyloxy-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one

3-(4-trimethylsilyloxy-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one (PubChem CID 15765572) has the molecular formula C12H18O4Si and a molecular weight of 254.36 g/mol. Its IUPAC name is 3-(4-trimethylsilyloxy-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one.

Molecular Properties

Compound Name3-(4-trimethylsilyloxy-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one
PubChem CID15765572
Molecular FormulaC12H18O4Si
Molecular Weight254.36 g/mol
Exact Mass254.10
IUPAC Name3-(4-trimethylsilyloxy-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one
SMILESC[Si](C)(C)OC1=CCOC(C2=CC(=O)OC2)C1
InChIInChI=1S/C12H18O4Si/c1-17(2,3)16-10-4-5-14-11(7-10)9-6-12(13)15-8-9/h4,6,11H,5,7-8H2,1-3H3
InChIKeyLAQLOQCDGXAHSB-UHFFFAOYSA-N
XLogP1.99
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3-(4-trimethylsilyloxy-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one?
The IUPAC name of 3-(4-trimethylsilyloxy-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one (CID 15765572) is 3-(4-trimethylsilyloxy-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one.
What is the SMILES notation for 3-(4-trimethylsilyloxy-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one?
The canonical SMILES for 3-(4-trimethylsilyloxy-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one is C[Si](C)(C)OC1=CCOC(C2=CC(=O)OC2)C1.
What is the InChIKey of 3-(4-trimethylsilyloxy-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one?
The InChIKey is LAQLOQCDGXAHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4Si/c1-17(2,3)16-10-4-5-14-11(7-10)9-6-12(13)15-8-9/h4,6,11H,5,7-8H2,1-3H3.
What are the key properties of 3-(4-trimethylsilyloxy-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one?
3-(4-trimethylsilyloxy-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one has a molecular weight of 254.36 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-trimethylsilyloxy-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one is sourced from PubChem (CID 15765572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).