methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxybutanoate

C11H24O3Si — CID 11009839

IUPACmethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxybutanoate
SMILESCOC(=O)C[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O3Si/c1-9(8-10(12)13-5)14-15(6,7)11(2,3)4/h9H,8H2,1-7H3/t9-/m1/s1
InChIKeyYMQKYTUCHSHLJI-SECBINFHSA-N
MW232.40 g/mol
LogP2.96
Rot. Bonds4

About methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxybutanoate

methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxybutanoate (PubChem CID 11009839) has the molecular formula C11H24O3Si and a molecular weight of 232.40 g/mol. Its IUPAC name is methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxybutanoate.

Molecular Properties

Compound Namemethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxybutanoate
PubChem CID11009839
Molecular FormulaC11H24O3Si
Molecular Weight232.40 g/mol
Exact Mass232.15
IUPAC Namemethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxybutanoate
SMILESCOC(=O)C[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O3Si/c1-9(8-10(12)13-5)14-15(6,7)11(2,3)4/h9H,8H2,1-7H3/t9-/m1/s1
InChIKeyYMQKYTUCHSHLJI-SECBINFHSA-N
XLogP2.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.40
LogP ≤ 52.96
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 (3R)-3-[tert-butyl(dimethyl)silyl]oxybutanoate?
The IUPAC name of methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxybutanoate (CID 11009839) is methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxybutanoate.
What is the SMILES notation for methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxybutanoate?
The canonical SMILES for methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxybutanoate is COC(=O)C[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxybutanoate?
The InChIKey is YMQKYTUCHSHLJI-SECBINFHSA-N. The full InChI is InChI=1S/C11H24O3Si/c1-9(8-10(12)13-5)14-15(6,7)11(2,3)4/h9H,8H2,1-7H3/t9-/m1/s1.
What are the key properties of methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxybutanoate?
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxybutanoate has a molecular weight of 232.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxybutanoate is sourced from PubChem (CID 11009839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).