4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-one

C12H24O4Si — CID 14134380

IUPAC4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-one
SMILESCC1OCC(=O)C(CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C12H24O4Si/c1-9-14-7-10(13)11(16-9)8-15-17(5,6)12(2,3)4/h9,11H,7-8H2,1-6H3
InChIKeyOFQHLPCDADXTQQ-UHFFFAOYSA-N
MW260.41 g/mol
LogP2.34
Rot. Bonds3

About 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-one

4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-one (PubChem CID 14134380) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-one.

Molecular Properties

Compound Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-one
PubChem CID14134380
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-one
SMILESCC1OCC(=O)C(CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C12H24O4Si/c1-9-14-7-10(13)11(16-9)8-15-17(5,6)12(2,3)4/h9,11H,7-8H2,1-6H3
InChIKeyOFQHLPCDADXTQQ-UHFFFAOYSA-N
XLogP2.34
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-1,3-dioxan-5-one
CID 46838235
2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
CID 11033068
(2R,4S) 4 t-butyldimethylsiloxymethyl-2-methyl-1,3-dioxan-5-one
CID 14134382
(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,3-dioxane-4-carbaldehyde
CID 87972364
dimethylsilyl-[(4R,5R)-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1,3-dioxan-4-yl]methanone
CID 173206663
methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(oxan-2-yloxy)propanoate
CID 10663382
1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-triethylsilyloxyethanone
CID 11108564
2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
CID 11231157
methyl 3-{[tert-butyl(dimethyl)silyl]oxy}-2-(tetrahydro-2H-pyran-2-yloxy)propanoate
CID 49757637
1-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2-triethylsilyloxyethanone
CID 71346096
methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-oxan-2-yl]oxypropanoate
CID 99864541
methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-oxan-2-yl]oxypropanoate
CID 99864542

Frequently Asked Questions

What is the IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-one?
The IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-one (CID 14134380) is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-one.
What is the SMILES notation for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-one?
The canonical SMILES for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-one is CC1OCC(=O)C(CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-one?
The InChIKey is OFQHLPCDADXTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-9-14-7-10(13)11(16-9)8-15-17(5,6)12(2,3)4/h9,11H,7-8H2,1-6H3.
What are the key properties of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-one?
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-one has a molecular weight of 260.41 g/mol, XLogP of 2.34, 3 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]oxymethyl]-2-methyl-1,3-dioxan-5-one is sourced from PubChem (CID 14134380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).