ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentanoate

C13H28O4Si — CID 86592620

IUPACethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentanoate
SMILESCCOC(=O)CCC(O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O4Si/c1-7-16-12(15)9-8-11(14)10-17-18(5,6)13(2,3)4/h11,14H,7-10H2,1-6H3
InChIKeyLEPOSXBRLZEUTJ-UHFFFAOYSA-N
MW276.45 g/mol
LogP2.71
Rot. Bonds7

About ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentanoate

ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentanoate (PubChem CID 86592620) has the molecular formula C13H28O4Si and a molecular weight of 276.45 g/mol. Its IUPAC name is ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentanoate.

Molecular Properties

Compound Nameethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentanoate
PubChem CID86592620
Molecular FormulaC13H28O4Si
Molecular Weight276.45 g/mol
Exact Mass276.18
IUPAC Nameethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentanoate
SMILESCCOC(=O)CCC(O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O4Si/c1-7-16-12(15)9-8-11(14)10-17-18(5,6)13(2,3)4/h11,14H,7-10H2,1-6H3
InChIKeyLEPOSXBRLZEUTJ-UHFFFAOYSA-N
XLogP2.71
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 52.71
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 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentanoate?
The IUPAC name of ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentanoate (CID 86592620) is ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentanoate.
What is the SMILES notation for ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentanoate?
The canonical SMILES for ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentanoate is CCOC(=O)CCC(O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentanoate?
The InChIKey is LEPOSXBRLZEUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O4Si/c1-7-16-12(15)9-8-11(14)10-17-18(5,6)13(2,3)4/h11,14H,7-10H2,1-6H3.
What are the key properties of ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentanoate?
ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentanoate has a molecular weight of 276.45 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentanoate is sourced from PubChem (CID 86592620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).