3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-cyclopropylpyran-4-one

C21H38O4Si2 — CID 177208961

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-cyclopropylpyran-4-one
SMILESCC(C)(C)[Si](C)(C)OCc1cc(=O)c(O[Si](C)(C)C(C)(C)C)c(C2CC2)o1
InChIInChI=1S/C21H38O4Si2/c1-20(2,3)26(7,8)23-14-16-13-17(22)19(18(24-16)15-11-12-15)25-27(9,10)21(4,5)6/h13,15H,11-12,14H2,1-10H3
InChIKeyJRUHIWFXHDOMPZ-UHFFFAOYSA-N
MW410.70 g/mol
LogP6.42
Rot. Bonds6

About 3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-cyclopropylpyran-4-one

3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-cyclopropylpyran-4-one (PubChem CID 177208961) has the molecular formula C21H38O4Si2 and a molecular weight of 410.70 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-cyclopropylpyran-4-one.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-cyclopropylpyran-4-one
PubChem CID177208961
Molecular FormulaC21H38O4Si2
Molecular Weight410.70 g/mol
Exact Mass410.23
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-cyclopropylpyran-4-one
SMILESCC(C)(C)[Si](C)(C)OCc1cc(=O)c(O[Si](C)(C)C(C)(C)C)c(C2CC2)o1
InChIInChI=1S/C21H38O4Si2/c1-20(2,3)26(7,8)23-14-16-13-17(22)19(18(24-16)15-11-12-15)25-27(9,10)21(4,5)6/h13,15H,11-12,14H2,1-10H3
InChIKeyJRUHIWFXHDOMPZ-UHFFFAOYSA-N
XLogP6.42
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.70
LogP ≤ 56.42
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-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-cyclopropylpyran-4-one?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-cyclopropylpyran-4-one (CID 177208961) is 3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-cyclopropylpyran-4-one.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-cyclopropylpyran-4-one?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-cyclopropylpyran-4-one is CC(C)(C)[Si](C)(C)OCc1cc(=O)c(O[Si](C)(C)C(C)(C)C)c(C2CC2)o1.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-cyclopropylpyran-4-one?
The InChIKey is JRUHIWFXHDOMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38O4Si2/c1-20(2,3)26(7,8)23-14-16-13-17(22)19(18(24-16)15-11-12-15)25-27(9,10)21(4,5)6/h13,15H,11-12,14H2,1-10H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-cyclopropylpyran-4-one?
3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-cyclopropylpyran-4-one has a molecular weight of 410.70 g/mol, XLogP of 6.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-cyclopropylpyran-4-one is sourced from PubChem (CID 177208961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).