[tert-butyl(dimethyl)silyl] furan-2-carboxylate

C11H18O3Si — CID 580774

IUPAC[tert-butyl(dimethyl)silyl] furan-2-carboxylate
SMILESCC(C)(C)[Si](C)(C)OC(=O)c1ccco1
InChIInChI=1S/C11H18O3Si/c1-11(2,3)15(4,5)14-10(12)9-7-6-8-13-9/h6-8H,1-5H3
InChIKeyBOXJFVWCBIHVGR-UHFFFAOYSA-N
MW226.35 g/mol
LogP3.44
Rot. Bonds2

About [tert-butyl(dimethyl)silyl] furan-2-carboxylate

[tert-butyl(dimethyl)silyl] furan-2-carboxylate (PubChem CID 580774) has the molecular formula C11H18O3Si and a molecular weight of 226.35 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] furan-2-carboxylate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] furan-2-carboxylate
PubChem CID580774
Molecular FormulaC11H18O3Si
Molecular Weight226.35 g/mol
Exact Mass226.10
IUPAC Name[tert-butyl(dimethyl)silyl] furan-2-carboxylate
SMILESCC(C)(C)[Si](C)(C)OC(=O)c1ccco1
InChIInChI=1S/C11H18O3Si/c1-11(2,3)15(4,5)14-10(12)9-7-6-8-13-9/h6-8H,1-5H3
InChIKeyBOXJFVWCBIHVGR-UHFFFAOYSA-N
XLogP3.44
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 53.44
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

bis[tert-butyl(dimethyl)silyl] benzene-1,2-dicarboxylate
CID 630744
[tert-butyl(dimethyl)silyl] 2-phenylacetate
CID 528591
methane;propan-2-yl furan-2-carboxylate
CID 157166715
2-fluoro-1-(furan-2-yl)-2-methylpropan-1-one
CID 130561931
bromomethyl furan-2-carboxylate
CID 54363056
(4-propan-2-ylphenyl) furan-2-carboxylate
CID 723691
1,1'-biphenyl;methyl furan-2-carboxylate
CID 159970386
tert-butyl 2-(furan-2-yl)-2-oxoacetate
CID 13187906
(2,2,2-trifluoroacetyl) furan-2-carboxylate
CID 91700684
[(2R)-1-chloro-4-methyl-1-oxopentan-2-yl] furan-2-carboxylate
CID 54238781
1-(furan-2-yl)-4-methoxy-4-methylpentane-1,3-dione
CID 165483416
chlorosyl furan-2-carboxylate
CID 154376053

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] furan-2-carboxylate?
The IUPAC name of [tert-butyl(dimethyl)silyl] furan-2-carboxylate (CID 580774) is [tert-butyl(dimethyl)silyl] furan-2-carboxylate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] furan-2-carboxylate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] furan-2-carboxylate is CC(C)(C)[Si](C)(C)OC(=O)c1ccco1.
What is the InChIKey of [tert-butyl(dimethyl)silyl] furan-2-carboxylate?
The InChIKey is BOXJFVWCBIHVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3Si/c1-11(2,3)15(4,5)14-10(12)9-7-6-8-13-9/h6-8H,1-5H3.
What are the key properties of [tert-butyl(dimethyl)silyl] furan-2-carboxylate?
[tert-butyl(dimethyl)silyl] furan-2-carboxylate has a molecular weight of 226.35 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] furan-2-carboxylate is sourced from PubChem (CID 580774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).