tert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxybutanoate

C24H34O4Si — CID 59850512

IUPACtert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxybutanoate
SMILESCC(C)(C)OC(=O)C(O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H34O4Si/c1-23(2,3)28-22(26)21(25)17-18-27-29(24(4,5)6,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,21,25H,17-18H2,1-6H3
InChIKeyXIOLUGVNVSNUJM-UHFFFAOYSA-N
MW414.62 g/mol
LogP3.66
Rot. Bonds7

About tert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxybutanoate

tert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxybutanoate (PubChem CID 59850512) has the molecular formula C24H34O4Si and a molecular weight of 414.62 g/mol. Its IUPAC name is tert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxybutanoate.

Molecular Properties

Compound Nametert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxybutanoate
PubChem CID59850512
Molecular FormulaC24H34O4Si
Molecular Weight414.62 g/mol
Exact Mass414.22
IUPAC Nametert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxybutanoate
SMILESCC(C)(C)OC(=O)C(O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H34O4Si/c1-23(2,3)28-22(26)21(25)17-18-27-29(24(4,5)6,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,21,25H,17-18H2,1-6H3
InChIKeyXIOLUGVNVSNUJM-UHFFFAOYSA-N
XLogP3.66
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.62
LogP ≤ 53.66
H-Bond Donors ≤ 51
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 tert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxybutanoate?
The IUPAC name of tert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxybutanoate (CID 59850512) is tert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxybutanoate.
What is the SMILES notation for tert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxybutanoate?
The canonical SMILES for tert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxybutanoate is CC(C)(C)OC(=O)C(O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxybutanoate?
The InChIKey is XIOLUGVNVSNUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O4Si/c1-23(2,3)28-22(26)21(25)17-18-27-29(24(4,5)6,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,21,25H,17-18H2,1-6H3.
What are the key properties of tert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxybutanoate?
tert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxybutanoate has a molecular weight of 414.62 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxybutanoate is sourced from PubChem (CID 59850512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).