3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one

C12H22O3Si — CID 134890514

IUPAC3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one
SMILESCC(C)(C)[Si](C)(C)OCC1C=CC(=O)OC1
InChIInChI=1S/C12H22O3Si/c1-12(2,3)16(4,5)15-9-10-6-7-11(13)14-8-10/h6-7,10H,8-9H2,1-5H3
InChIKeySXUCCZIMMSSYHO-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.74
Rot. Bonds3

About 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one

3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one (PubChem CID 134890514) has the molecular formula C12H22O3Si and a molecular weight of 242.39 g/mol. Its IUPAC name is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one
PubChem CID134890514
Molecular FormulaC12H22O3Si
Molecular Weight242.39 g/mol
Exact Mass242.13
IUPAC Name3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one
SMILESCC(C)(C)[Si](C)(C)OCC1C=CC(=O)OC1
InChIInChI=1S/C12H22O3Si/c1-12(2,3)16(4,5)15-9-10-6-7-11(13)14-8-10/h6-7,10H,8-9H2,1-5H3
InChIKeySXUCCZIMMSSYHO-UHFFFAOYSA-N
XLogP2.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one
CID 11402212
(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-1,3-oxazolidin-2-one
CID 173193396
tert-butyl-(2,3-dihydro-1H-pyrrol-3-ylmethoxy)-dimethylsilane
CID 67131023
(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6,6-trimethylcyclohex-2-en-1-one
CID 101372674
(4R,4aS,8aR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-4a,8a-dihydro-4H-pyrano[3,2-d][1,3]dioxin-6-one
CID 46914553
[(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-3-yl]methyl 2,2-dimethylpropanoate
CID 101195866
6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one
CID 72819931
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-2,5-dihydropyridin-6-one
CID 11357288
(4R)-4-[(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enyl]cyclopent-2-en-1-one
CID 140749971
4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexan-1-one
CID 59734106
3-hexyl-2,3-dihydropyran-6-one
CID 134890393
3-tert-butyl-2,3-dihydropyran-6-one
CID 162773146

Frequently Asked Questions

What is the IUPAC name of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one?
The IUPAC name of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one (CID 134890514) is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one?
The canonical SMILES for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one is CC(C)(C)[Si](C)(C)OCC1C=CC(=O)OC1.
What is the InChIKey of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one?
The InChIKey is SXUCCZIMMSSYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3Si/c1-12(2,3)16(4,5)15-9-10-6-7-11(13)14-8-10/h6-7,10H,8-9H2,1-5H3.
What are the key properties of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one?
3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one has a molecular weight of 242.39 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 134890514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).