[tert-butyl(dimethyl)silyl] 4-methyl-2-oxopentanoate

C12H24O3Si — CID 71329341

IUPAC[tert-butyl(dimethyl)silyl] 4-methyl-2-oxopentanoate
SMILESCC(C)CC(=O)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-9(2)8-10(13)11(14)15-16(6,7)12(3,4)5/h9H,8H2,1-7H3
InChIKeyGSHJQXMVPVYUMP-UHFFFAOYSA-N
MW244.41 g/mol
LogP3.15
Rot. Bonds4

About [tert-butyl(dimethyl)silyl] 4-methyl-2-oxopentanoate

[tert-butyl(dimethyl)silyl] 4-methyl-2-oxopentanoate (PubChem CID 71329341) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 4-methyl-2-oxopentanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 4-methyl-2-oxopentanoate
PubChem CID71329341
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name[tert-butyl(dimethyl)silyl] 4-methyl-2-oxopentanoate
SMILESCC(C)CC(=O)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-9(2)8-10(13)11(14)15-16(6,7)12(3,4)5/h9H,8H2,1-7H3
InChIKeyGSHJQXMVPVYUMP-UHFFFAOYSA-N
XLogP3.15
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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(dimethyl)silyl] 4-methyl-2-oxopentanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 4-methyl-2-oxopentanoate (CID 71329341) is [tert-butyl(dimethyl)silyl] 4-methyl-2-oxopentanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 4-methyl-2-oxopentanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 4-methyl-2-oxopentanoate is CC(C)CC(=O)C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 4-methyl-2-oxopentanoate?
The InChIKey is GSHJQXMVPVYUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-9(2)8-10(13)11(14)15-16(6,7)12(3,4)5/h9H,8H2,1-7H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 4-methyl-2-oxopentanoate?
[tert-butyl(dimethyl)silyl] 4-methyl-2-oxopentanoate has a molecular weight of 244.41 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 4-methyl-2-oxopentanoate is sourced from PubChem (CID 71329341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).