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

C12H26O3Si — CID 560751

IUPACmethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate
SMILESCOC(=O)C(C)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O3Si/c1-9(11(13)14-6)10(2)15-16(7,8)12(3,4)5/h9-10H,1-8H3
InChIKeyLXNGFUZXDGVDEZ-UHFFFAOYSA-N
MW246.42 g/mol
LogP3.21
Rot. Bonds4

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

methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate (PubChem CID 560751) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate
PubChem CID560751
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Namemethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate
SMILESCOC(=O)C(C)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O3Si/c1-9(11(13)14-6)10(2)15-16(7,8)12(3,4)5/h9-10H,1-8H3
InChIKeyLXNGFUZXDGVDEZ-UHFFFAOYSA-N
XLogP3.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate?
The IUPAC name of methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate (CID 560751) is methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate.
What is the SMILES notation for methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate?
The canonical SMILES for methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate is COC(=O)C(C)C(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate?
The InChIKey is LXNGFUZXDGVDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3Si/c1-9(11(13)14-6)10(2)15-16(7,8)12(3,4)5/h9-10H,1-8H3.
What are the key properties of methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate?
methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate has a molecular weight of 246.42 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate is sourced from PubChem (CID 560751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).