2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-4-one

C13H24O3Si — CID 73097138

IUPAC2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-4-one
SMILESCC(C)(C)[Si](C)(C)OCCC1CC(=O)C=CO1
InChIInChI=1S/C13H24O3Si/c1-13(2,3)17(4,5)16-9-7-12-10-11(14)6-8-15-12/h6,8,12H,7,9-10H2,1-5H3
InChIKeyHUVGBOUBFCYQHH-UHFFFAOYSA-N
MW256.42 g/mol
LogP3.27
Rot. Bonds4

About 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-4-one

2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-4-one (PubChem CID 73097138) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-4-one
PubChem CID73097138
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Name2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-4-one
SMILESCC(C)(C)[Si](C)(C)OCCC1CC(=O)C=CO1
InChIInChI=1S/C13H24O3Si/c1-13(2,3)17(4,5)16-9-7-12-10-11(14)6-8-15-12/h6,8,12H,7,9-10H2,1-5H3
InChIKeyHUVGBOUBFCYQHH-UHFFFAOYSA-N
XLogP3.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 53.27
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

7-[Tert-butyl(dimethyl)silyl]oxyhept-1-en-3-one
CID 11128489
(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-4-one
CID 173575576
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-4-one
CID 9859630
(E,5R)-7-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-5-trimethylsilyloxyhept-1-en-3-one
CID 10316504
(2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyl-2,3-dihydropyran-4-one
CID 11000137
(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-4-one
CID 11777196
(2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-4-one
CID 44598006
2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-4-one
CID 101184079
(2S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-4-one
CID 122213516
(2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-4-one
CID 122213517
2-[5-[Tert-butyl(dimethyl)silyl]oxypentyl]-2,3-dihydropyran-4-one
CID 122376005
(2S)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,3-dihydropyran-4-one
CID 177419815

Frequently Asked Questions

What is the IUPAC name of 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-4-one?
The IUPAC name of 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-4-one (CID 73097138) is 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-4-one.
What is the SMILES notation for 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-4-one?
The canonical SMILES for 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-4-one is CC(C)(C)[Si](C)(C)OCCC1CC(=O)C=CO1.
What is the InChIKey of 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-4-one?
The InChIKey is HUVGBOUBFCYQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-13(2,3)17(4,5)16-9-7-12-10-11(14)6-8-15-12/h6,8,12H,7,9-10H2,1-5H3.
What are the key properties of 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-4-one?
2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-4-one has a molecular weight of 256.42 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-4-one is sourced from PubChem (CID 73097138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).