ethyl 4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate

C12H26O4Si — CID 75104437

IUPACethyl 4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
SMILESCCOC(=O)CC(O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O4Si/c1-7-15-11(14)8-10(13)9-16-17(5,6)12(2,3)4/h10,13H,7-9H2,1-6H3
InChIKeyNUWWQAFGGXZMNF-UHFFFAOYSA-N
MW262.42 g/mol
LogP2.32
Rot. Bonds6

About ethyl 4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate

ethyl 4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate (PubChem CID 75104437) has the molecular formula C12H26O4Si and a molecular weight of 262.42 g/mol. Its IUPAC name is ethyl 4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate.

Molecular Properties

Compound Nameethyl 4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
PubChem CID75104437
Molecular FormulaC12H26O4Si
Molecular Weight262.42 g/mol
Exact Mass262.16
IUPAC Nameethyl 4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
SMILESCCOC(=O)CC(O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O4Si/c1-7-15-11(14)8-10(13)9-16-17(5,6)12(2,3)4/h10,13H,7-9H2,1-6H3
InChIKeyNUWWQAFGGXZMNF-UHFFFAOYSA-N
XLogP2.32
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 52.32
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 ethyl 4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate?
The IUPAC name of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate (CID 75104437) is ethyl 4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate.
What is the SMILES notation for ethyl 4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate?
The canonical SMILES for ethyl 4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate is CCOC(=O)CC(O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate?
The InChIKey is NUWWQAFGGXZMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4Si/c1-7-15-11(14)8-10(13)9-16-17(5,6)12(2,3)4/h10,13H,7-9H2,1-6H3.
What are the key properties of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate?
ethyl 4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate has a molecular weight of 262.42 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate is sourced from PubChem (CID 75104437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).