3-[tert-butyl(dimethyl)silyl]oxy-2H-furan-5-one

C10H18O3Si — CID 22213502

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-2H-furan-5-one
SMILESCC(C)(C)[Si](C)(C)OC1=CC(=O)OC1
InChIInChI=1S/C10H18O3Si/c1-10(2,3)14(4,5)13-8-6-9(11)12-7-8/h6H,7H2,1-5H3
InChIKeyGBSVWSDGJVIYJG-UHFFFAOYSA-N
MW214.34 g/mol
LogP2.45
Rot. Bonds2

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

3-[tert-butyl(dimethyl)silyl]oxy-2H-furan-5-one (PubChem CID 22213502) has the molecular formula C10H18O3Si and a molecular weight of 214.34 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-2H-furan-5-one.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-2H-furan-5-one
PubChem CID22213502
Molecular FormulaC10H18O3Si
Molecular Weight214.34 g/mol
Exact Mass214.10
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-2H-furan-5-one
SMILESCC(C)(C)[Si](C)(C)OC1=CC(=O)OC1
InChIInChI=1S/C10H18O3Si/c1-10(2,3)14(4,5)13-8-6-9(11)12-7-8/h6H,7H2,1-5H3
InChIKeyGBSVWSDGJVIYJG-UHFFFAOYSA-N
XLogP2.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.34
LogP ≤ 52.45
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

3-(Trimethylsilyloxy)-2-butenoic Acid Methyl Ester
CID 2733746
Methyl 3-((trimethylsilyl)oxy)-2-butenoate
CID 5702587
Methyl 3-((trimethylsilyl)oxy)but-2-enoate
CID 6115690
ethyl (E)-3-methyl-4-trimethylsilylbut-2-enoate
CID 14449541
(E)-4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-2-butenoic Acid Ethyl Ester
CID 10490523
Ethyl (2Z)-3-[(trimethylsilyl)oxy]but-2-enoate
CID 11084906
Ethyl 3-{[diethoxy(methyl)silyl]oxy}but-2-enoate
CID 102398
2(5H)-Furanone, 4-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-
CID 543925
Ethyl (e)-4-((tert-butyldimethylsilyl)oxy)-3-methylbut-2-enoate
CID 11737024
ethyl (E)-3-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]but-2-enoate
CID 11572750
ethyl (E)-3-trimethylsilylbut-2-enoate
CID 13087507
Methyl 4-trimethylsilyl-3-trimethylsilyloxybut-2-enoate
CID 86021519

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2H-furan-5-one?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2H-furan-5-one (CID 22213502) is 3-[tert-butyl(dimethyl)silyl]oxy-2H-furan-5-one.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-2H-furan-5-one?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-2H-furan-5-one is CC(C)(C)[Si](C)(C)OC1=CC(=O)OC1.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-2H-furan-5-one?
The InChIKey is GBSVWSDGJVIYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3Si/c1-10(2,3)14(4,5)13-8-6-9(11)12-7-8/h6H,7H2,1-5H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-2H-furan-5-one?
3-[tert-butyl(dimethyl)silyl]oxy-2H-furan-5-one has a molecular weight of 214.34 g/mol, XLogP of 2.45, 2 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]oxy-2H-furan-5-one is sourced from PubChem (CID 22213502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).