(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-2H-furan-5-one

C13H24O3Si — CID 10706253

IUPAC(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-2H-furan-5-one
SMILESCCC1=CC(=O)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O3Si/c1-7-10-8-12(14)16-11(10)9-15-17(5,6)13(2,3)4/h8,11H,7,9H2,1-6H3/t11-/m1/s1
InChIKeyXLLVGUHPMOPJQO-LLVKDONJSA-N
MW256.42 g/mol
LogP3.27
Rot. Bonds4

About (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-2H-furan-5-one

(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-2H-furan-5-one (PubChem CID 10706253) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-2H-furan-5-one
PubChem CID10706253
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Name(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-2H-furan-5-one
SMILESCCC1=CC(=O)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O3Si/c1-7-10-8-12(14)16-11(10)9-15-17(5,6)13(2,3)4/h8,11H,7,9H2,1-6H3/t11-/m1/s1
InChIKeyXLLVGUHPMOPJQO-LLVKDONJSA-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

(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2H-furan-5-one
CID 10538149
Fur020
CID 9992141
2(5H)-Furanone, 5-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-, (S)-
CID 11042497
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-2H-furan-5-one
CID 15403702
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one
CID 10220446
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3-dihydropyran-6-one
CID 10955748
(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-6-one
CID 11107972
ethyl (2E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhepta-2,6-dienoate
CID 24881280
ethyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylpent-2-enoate
CID 60153401
methyl (E)-3-methyl-6-triethylsilyloxyhex-2-enoate
CID 101521912
(S,e)-ethyl 6-(t-butyldimethylsilyloxy)hept-2-enoate
CID 129843282
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enoate
CID 134856558

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-2H-furan-5-one?
The IUPAC name of (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-2H-furan-5-one (CID 10706253) is (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-2H-furan-5-one.
What is the SMILES notation for (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-2H-furan-5-one?
The canonical SMILES for (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-2H-furan-5-one is CCC1=CC(=O)O[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-2H-furan-5-one?
The InChIKey is XLLVGUHPMOPJQO-LLVKDONJSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-7-10-8-12(14)16-11(10)9-15-17(5,6)13(2,3)4/h8,11H,7,9H2,1-6H3/t11-/m1/s1.
What are the key properties of (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-2H-furan-5-one?
(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-2H-furan-5-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 (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-2H-furan-5-one is sourced from PubChem (CID 10706253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).