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

C13H28O4Si — CID 57453768

IUPACmethyl 2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-yloxypropanoate
SMILESCOC(=O)C(COC(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O4Si/c1-10(2)16-9-11(12(14)15-6)17-18(7,8)13(3,4)5/h10-11H,9H2,1-8H3
InChIKeyOZVFKESIBRCKGH-UHFFFAOYSA-N
MW276.45 g/mol
LogP2.97
Rot. Bonds6

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

methyl 2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-yloxypropanoate (PubChem CID 57453768) has the molecular formula C13H28O4Si and a molecular weight of 276.45 g/mol. Its IUPAC name is methyl 2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-yloxypropanoate.

Molecular Properties

Compound Namemethyl 2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-yloxypropanoate
PubChem CID57453768
Molecular FormulaC13H28O4Si
Molecular Weight276.45 g/mol
Exact Mass276.18
IUPAC Namemethyl 2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-yloxypropanoate
SMILESCOC(=O)C(COC(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O4Si/c1-10(2)16-9-11(12(14)15-6)17-18(7,8)13(3,4)5/h10-11H,9H2,1-8H3
InChIKeyOZVFKESIBRCKGH-UHFFFAOYSA-N
XLogP2.97
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 52.97
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-propan-2-yloxypropanoate?
The IUPAC name of methyl 2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-yloxypropanoate (CID 57453768) is methyl 2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-yloxypropanoate.
What is the SMILES notation for methyl 2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-yloxypropanoate?
The canonical SMILES for methyl 2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-yloxypropanoate is COC(=O)C(COC(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-yloxypropanoate?
The InChIKey is OZVFKESIBRCKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O4Si/c1-10(2)16-9-11(12(14)15-6)17-18(7,8)13(3,4)5/h10-11H,9H2,1-8H3.
What are the key properties of methyl 2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-yloxypropanoate?
methyl 2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-yloxypropanoate has a molecular weight of 276.45 g/mol, XLogP of 2.97, 6 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-propan-2-yloxypropanoate is sourced from PubChem (CID 57453768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).