tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate

C15H30O4Si — CID 10357586

IUPACtert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
SMILESCC(C)(C)OC(=O)CC(CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O4Si/c1-14(2,3)18-13(17)11-12(9-10-16)19-20(7,8)15(4,5)6/h10,12H,9,11H2,1-8H3
InChIKeyNAHLHXXNNKHAAT-UHFFFAOYSA-N
MW302.49 g/mol
LogP3.70
Rot. Bonds6

About tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate

tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate (PubChem CID 10357586) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate.

Molecular Properties

Compound Nametert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
PubChem CID10357586
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Nametert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
SMILESCC(C)(C)OC(=O)CC(CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O4Si/c1-14(2,3)18-13(17)11-12(9-10-16)19-20(7,8)15(4,5)6/h10,12H,9,11H2,1-8H3
InChIKeyNAHLHXXNNKHAAT-UHFFFAOYSA-N
XLogP3.70
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate?
The IUPAC name of tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate (CID 10357586) is tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate.
What is the SMILES notation for tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate?
The canonical SMILES for tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate is CC(C)(C)OC(=O)CC(CC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate?
The InChIKey is NAHLHXXNNKHAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-14(2,3)18-13(17)11-12(9-10-16)19-20(7,8)15(4,5)6/h10,12H,9,11H2,1-8H3.
What are the key properties of tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate?
tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate has a molecular weight of 302.49 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate is sourced from PubChem (CID 10357586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).