methyl 5-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylate

C13H26O4Si — CID 67078211

IUPACmethyl 5-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylate
SMILESCOC(=O)C1COCC(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C13H26O4Si/c1-13(2,3)18(5,6)17-11-7-10(8-16-9-11)12(14)15-4/h10-11H,7-9H2,1-6H3
InChIKeyLMIMNUGJJDUYAC-UHFFFAOYSA-N
MW274.43 g/mol
LogP2.59
Rot. Bonds3

About methyl 5-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylate

methyl 5-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylate (PubChem CID 67078211) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is methyl 5-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylate
PubChem CID67078211
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Namemethyl 5-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylate
SMILESCOC(=O)C1COCC(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C13H26O4Si/c1-13(2,3)18(5,6)17-11-7-10(8-16-9-11)12(14)15-4/h10-11H,7-9H2,1-6H3
InChIKeyLMIMNUGJJDUYAC-UHFFFAOYSA-N
XLogP2.59
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 methyl 5-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylate?
The IUPAC name of methyl 5-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylate (CID 67078211) is methyl 5-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylate.
What is the SMILES notation for methyl 5-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylate?
The canonical SMILES for methyl 5-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylate is COC(=O)C1COCC(O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of methyl 5-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylate?
The InChIKey is LMIMNUGJJDUYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4Si/c1-13(2,3)18(5,6)17-11-7-10(8-16-9-11)12(14)15-4/h10-11H,7-9H2,1-6H3.
What are the key properties of methyl 5-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylate?
methyl 5-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylate has a molecular weight of 274.43 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylate is sourced from PubChem (CID 67078211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).