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

C11H20O3Si — CID 140974123

IUPAC(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-3-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1OC=CC1=O
InChIInChI=1S/C11H20O3Si/c1-11(2,3)15(4,5)14-8-10-9(12)6-7-13-10/h6-7,10H,8H2,1-5H3/t10-/m0/s1
InChIKeyXEHGTEKFONZDGC-JTQLQIEISA-N
MW228.36 g/mol
LogP2.49
Rot. Bonds3

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

(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-3-one (PubChem CID 140974123) has the molecular formula C11H20O3Si and a molecular weight of 228.36 g/mol. Its IUPAC name is (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-3-one.

Molecular Properties

Compound Name(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-3-one
PubChem CID140974123
Molecular FormulaC11H20O3Si
Molecular Weight228.36 g/mol
Exact Mass228.12
IUPAC Name(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-3-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1OC=CC1=O
InChIInChI=1S/C11H20O3Si/c1-11(2,3)15(4,5)14-8-10-9(12)6-7-13-10/h6-7,10H,8H2,1-5H3/t10-/m0/s1
InChIKeyXEHGTEKFONZDGC-JTQLQIEISA-N
XLogP2.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.49
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

(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2,3-dihydropyran-4-one
CID 13070166
(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2,3-dihydropyran-4-one
CID 335650
3-[Tert-butyl(dimethyl)silyl]oxy-2,3-dihydropyran-4-one
CID 67838584
2-[[Tert-butyl(dimethyl)silyl]oxymethyl]furan-3-one
CID 78061503
2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2,3-dihydropyran-4-one
CID 5036106
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3-dihydropyran-4-one
CID 10466925
(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2,3-dihydropyran-4-one
CID 13070165
(R)-2-(((tert-Butyldimethylsilyl)oxy)methyl)furan-3(2H)-one
CID 71348175
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3-dihydropyran-4-one
CID 101994531
(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2,3-dihydropyran-4-one
CID 124629516

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-3-one?
The IUPAC name of (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-3-one (CID 140974123) is (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-3-one.
What is the SMILES notation for (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-3-one?
The canonical SMILES for (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-3-one is CC(C)(C)[Si](C)(C)OC[C@@H]1OC=CC1=O.
What is the InChIKey of (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-3-one?
The InChIKey is XEHGTEKFONZDGC-JTQLQIEISA-N. The full InChI is InChI=1S/C11H20O3Si/c1-11(2,3)15(4,5)14-8-10-9(12)6-7-13-10/h6-7,10H,8H2,1-5H3/t10-/m0/s1.
What are the key properties of (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-3-one?
(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-3-one has a molecular weight of 228.36 g/mol, XLogP of 2.49, 3 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]furan-3-one is sourced from PubChem (CID 140974123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).