4-[tert-butyl(dimethyl)silyl]oxy-3H-pyran-2,6-dione

C11H18O4Si — CID 87320090

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-3H-pyran-2,6-dione
SMILESCC(C)(C)[Si](C)(C)OC1=CC(=O)OC(=O)C1
InChIInChI=1S/C11H18O4Si/c1-11(2,3)16(4,5)15-8-6-9(12)14-10(13)7-8/h6H,7H2,1-5H3
InChIKeyWGLVVGQLYVJDPF-UHFFFAOYSA-N
MW242.35 g/mol
LogP2.37
Rot. Bonds2

About 4-[tert-butyl(dimethyl)silyl]oxy-3H-pyran-2,6-dione

4-[tert-butyl(dimethyl)silyl]oxy-3H-pyran-2,6-dione (PubChem CID 87320090) has the molecular formula C11H18O4Si and a molecular weight of 242.35 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-3H-pyran-2,6-dione.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-3H-pyran-2,6-dione
PubChem CID87320090
Molecular FormulaC11H18O4Si
Molecular Weight242.35 g/mol
Exact Mass242.10
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-3H-pyran-2,6-dione
SMILESCC(C)(C)[Si](C)(C)OC1=CC(=O)OC(=O)C1
InChIInChI=1S/C11H18O4Si/c1-11(2,3)16(4,5)15-8-6-9(12)14-10(13)7-8/h6H,7H2,1-5H3
InChIKeyWGLVVGQLYVJDPF-UHFFFAOYSA-N
XLogP2.37
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-3H-pyran-2,6-dione?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-3H-pyran-2,6-dione (CID 87320090) is 4-[tert-butyl(dimethyl)silyl]oxy-3H-pyran-2,6-dione.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-3H-pyran-2,6-dione?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-3H-pyran-2,6-dione is CC(C)(C)[Si](C)(C)OC1=CC(=O)OC(=O)C1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-3H-pyran-2,6-dione?
The InChIKey is WGLVVGQLYVJDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4Si/c1-11(2,3)16(4,5)15-8-6-9(12)14-10(13)7-8/h6H,7H2,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-3H-pyran-2,6-dione?
4-[tert-butyl(dimethyl)silyl]oxy-3H-pyran-2,6-dione has a molecular weight of 242.35 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-3H-pyran-2,6-dione is sourced from PubChem (CID 87320090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).