methyl 2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropanoate

C11H24O4Si — CID 57453766

IUPACmethyl 2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropanoate
SMILESCOCC(O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C11H24O4Si/c1-11(2,3)16(6,7)15-9(8-13-4)10(12)14-5/h9H,8H2,1-7H3
InChIKeyBANSAWNIWUUHOY-UHFFFAOYSA-N
MW248.39 g/mol
LogP2.20
Rot. Bonds5

About methyl 2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropanoate

methyl 2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropanoate (PubChem CID 57453766) has the molecular formula C11H24O4Si and a molecular weight of 248.39 g/mol. Its IUPAC name is methyl 2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropanoate.

Molecular Properties

Compound Namemethyl 2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropanoate
PubChem CID57453766
Molecular FormulaC11H24O4Si
Molecular Weight248.39 g/mol
Exact Mass248.14
IUPAC Namemethyl 2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropanoate
SMILESCOCC(O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C11H24O4Si/c1-11(2,3)16(6,7)15-9(8-13-4)10(12)14-5/h9H,8H2,1-7H3
InChIKeyBANSAWNIWUUHOY-UHFFFAOYSA-N
XLogP2.20
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.20
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 2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropanoate?
The IUPAC name of methyl 2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropanoate (CID 57453766) is methyl 2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropanoate.
What is the SMILES notation for methyl 2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropanoate?
The canonical SMILES for methyl 2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropanoate is COCC(O[Si](C)(C)C(C)(C)C)C(=O)OC.
What is the InChIKey of methyl 2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropanoate?
The InChIKey is BANSAWNIWUUHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O4Si/c1-11(2,3)16(6,7)15-9(8-13-4)10(12)14-5/h9H,8H2,1-7H3.
What are the key properties of methyl 2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropanoate?
methyl 2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropanoate has a molecular weight of 248.39 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropanoate is sourced from PubChem (CID 57453766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).