6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2,4-dione

C12H22O4Si — CID 54362216

IUPAC6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2,4-dione
SMILESCC(C)(C)[Si](C)(C)OCC1CC(=O)CC(=O)O1
InChIInChI=1S/C12H22O4Si/c1-12(2,3)17(4,5)15-8-10-6-9(13)7-11(14)16-10/h10H,6-8H2,1-5H3
InChIKeyUNHHDGMVBMWWGZ-UHFFFAOYSA-N
MW258.39 g/mol
LogP2.28
Rot. Bonds3

About 6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2,4-dione

6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2,4-dione (PubChem CID 54362216) has the molecular formula C12H22O4Si and a molecular weight of 258.39 g/mol. Its IUPAC name is 6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2,4-dione.

Molecular Properties

Compound Name6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2,4-dione
PubChem CID54362216
Molecular FormulaC12H22O4Si
Molecular Weight258.39 g/mol
Exact Mass258.13
IUPAC Name6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2,4-dione
SMILESCC(C)(C)[Si](C)(C)OCC1CC(=O)CC(=O)O1
InChIInChI=1S/C12H22O4Si/c1-12(2,3)17(4,5)15-8-10-6-9(13)7-11(14)16-10/h10H,6-8H2,1-5H3
InChIKeyUNHHDGMVBMWWGZ-UHFFFAOYSA-N
XLogP2.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 52.28
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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Related Compounds

((2S,4R)-4-(tert-butyldimethylsilyloxy)-6-oxotetrahydro-2H-pyran-2-yl)methyl acetate
CID 16113281
6-t-Butyldimethylsilyloxymethyl-4-hydroxytetrahydropyran-2-one
CID 19389468
Ethyl 6-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate
CID 134975630
(4R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-methyloxan-2-one
CID 135037138
(4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-one
CID 139247737
(4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-one
CID 16098130
(4S,5S,6S)-4-methoxy-6-methyl-5-triethylsilyloxyoxan-2-one
CID 44208303
(4S,5R,6S)-4-methoxy-6-methyl-5-triethylsilyloxyoxan-2-one
CID 44208690
4-Acetoxy-6-t-butyldimethylsilyloxymethyltetrahydro pyran-2-one
CID 19389465
[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]methyl acetate
CID 58160168
(4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(1-methoxyethyl)oxan-2-one
CID 58361810
(4S,6S)-4-trimethylsilyloxy-6-(trimethylsilyloxymethyl)oxan-2-one
CID 66695452

Frequently Asked Questions

What is the IUPAC name of 6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2,4-dione?
The IUPAC name of 6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2,4-dione (CID 54362216) is 6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2,4-dione.
What is the SMILES notation for 6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2,4-dione?
The canonical SMILES for 6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2,4-dione is CC(C)(C)[Si](C)(C)OCC1CC(=O)CC(=O)O1.
What is the InChIKey of 6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2,4-dione?
The InChIKey is UNHHDGMVBMWWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4Si/c1-12(2,3)17(4,5)15-8-10-6-9(13)7-11(14)16-10/h10H,6-8H2,1-5H3.
What are the key properties of 6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2,4-dione?
6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2,4-dione has a molecular weight of 258.39 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2,4-dione is sourced from PubChem (CID 54362216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).