6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-one

C12H24O3Si — CID 85177293

IUPAC6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-one
SMILESCC(C)(C)[Si](C)(C)OCC1CCC(=O)CO1
InChIInChI=1S/C12H24O3Si/c1-12(2,3)16(4,5)15-9-11-7-6-10(13)8-14-11/h11H,6-9H2,1-5H3
InChIKeyMSXQNPGCJIQANM-UHFFFAOYSA-N
MW244.41 g/mol
LogP2.76
Rot. Bonds3

About 6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-one

6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-one (PubChem CID 85177293) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is 6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-one.

Molecular Properties

Compound Name6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-one
PubChem CID85177293
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-one
SMILESCC(C)(C)[Si](C)(C)OCC1CCC(=O)CO1
InChIInChI=1S/C12H24O3Si/c1-12(2,3)16(4,5)15-9-11-7-6-10(13)8-14-11/h11H,6-9H2,1-5H3
InChIKeyMSXQNPGCJIQANM-UHFFFAOYSA-N
XLogP2.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-one?
The IUPAC name of 6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-one (CID 85177293) is 6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-one.
What is the SMILES notation for 6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-one?
The canonical SMILES for 6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-one is CC(C)(C)[Si](C)(C)OCC1CCC(=O)CO1.
What is the InChIKey of 6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-one?
The InChIKey is MSXQNPGCJIQANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-12(2,3)16(4,5)15-9-11-7-6-10(13)8-14-11/h11H,6-9H2,1-5H3.
What are the key properties of 6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-one?
6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-one has a molecular weight of 244.41 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-one is sourced from PubChem (CID 85177293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).