[(2R)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] 2-oxopyran-3-carboxylate

C16H26O5Si — CID 10359036

IUPAC[(2R)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] 2-oxopyran-3-carboxylate
SMILESC[C@H](CCO[Si](C)(C)C(C)(C)C)OC(=O)c1cccoc1=O
InChIInChI=1S/C16H26O5Si/c1-12(9-11-20-22(5,6)16(2,3)4)21-15(18)13-8-7-10-19-14(13)17/h7-8,10,12H,9,11H2,1-6H3/t12-/m1/s1
InChIKeyIOGZSOJLVKIEHM-GFCCVEGCSA-N
MW326.47 g/mol
LogP3.60
Rot. Bonds6

About [(2R)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] 2-oxopyran-3-carboxylate

[(2R)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] 2-oxopyran-3-carboxylate (PubChem CID 10359036) has the molecular formula C16H26O5Si and a molecular weight of 326.47 g/mol. Its IUPAC name is [(2R)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] 2-oxopyran-3-carboxylate.

Molecular Properties

Compound Name[(2R)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] 2-oxopyran-3-carboxylate
PubChem CID10359036
Molecular FormulaC16H26O5Si
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC Name[(2R)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] 2-oxopyran-3-carboxylate
SMILESC[C@H](CCO[Si](C)(C)C(C)(C)C)OC(=O)c1cccoc1=O
InChIInChI=1S/C16H26O5Si/c1-12(9-11-20-22(5,6)16(2,3)4)21-15(18)13-8-7-10-19-14(13)17/h7-8,10,12H,9,11H2,1-6H3/t12-/m1/s1
InChIKeyIOGZSOJLVKIEHM-GFCCVEGCSA-N
XLogP3.60
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] 2-oxopyran-3-carboxylate?
The IUPAC name of [(2R)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] 2-oxopyran-3-carboxylate (CID 10359036) is [(2R)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] 2-oxopyran-3-carboxylate.
What is the SMILES notation for [(2R)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] 2-oxopyran-3-carboxylate?
The canonical SMILES for [(2R)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] 2-oxopyran-3-carboxylate is C[C@H](CCO[Si](C)(C)C(C)(C)C)OC(=O)c1cccoc1=O.
What is the InChIKey of [(2R)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] 2-oxopyran-3-carboxylate?
The InChIKey is IOGZSOJLVKIEHM-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H26O5Si/c1-12(9-11-20-22(5,6)16(2,3)4)21-15(18)13-8-7-10-19-14(13)17/h7-8,10,12H,9,11H2,1-6H3/t12-/m1/s1.
What are the key properties of [(2R)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] 2-oxopyran-3-carboxylate?
[(2R)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] 2-oxopyran-3-carboxylate has a molecular weight of 326.47 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] 2-oxopyran-3-carboxylate is sourced from PubChem (CID 10359036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).