4-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-5-oxopentanoic acid

C12H24O5Si — CID 74943933

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)C(CCC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O5Si/c1-12(2,3)18(5,6)17-9(11(15)16-4)7-8-10(13)14/h9H,7-8H2,1-6H3,(H,13,14)
InChIKeyMBUANYNMZYTZSC-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.41
Rot. Bonds6

About 4-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-5-oxopentanoic acid

4-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-5-oxopentanoic acid (PubChem CID 74943933) has the molecular formula C12H24O5Si and a molecular weight of 276.40 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-5-oxopentanoic acid
PubChem CID74943933
Molecular FormulaC12H24O5Si
Molecular Weight276.40 g/mol
Exact Mass276.14
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)C(CCC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O5Si/c1-12(2,3)18(5,6)17-9(11(15)16-4)7-8-10(13)14/h9H,7-8H2,1-6H3,(H,13,14)
InChIKeyMBUANYNMZYTZSC-UHFFFAOYSA-N
XLogP2.41
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoate
CID 14321488
1-Ethyl 5-(trimethylsilyl) 2-((trimethylsilyl)oxy)pentanedioate
CID 91713346
5-Ethyl 1-(trimethylsilyl) 2-((trimethylsilyl)oxy)pentanedioate
CID 91733270
Pentanedioic acid, 2-[(trimethylsilyl)oxy]-, dimethyl ester
CID 553342
ethyl (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoate
CID 14992914
methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
CID 60195514
(3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxyoxolan-2-one
CID 15677666
2-[Tert-butyl(dimethyl)silyl]oxypentanedioic acid
CID 21640047
5-[Tert-butyl(dimethyl)silyl]oxy-4-hydroxypentanoic acid
CID 21992711
2-Trimethylsilyloxypentanedioic acid
CID 57446919
5-(tert-Butyl-dimethyl-silyloxy)-4-hydroxy-pentanoic Acid Ethyl Ester
CID 86592620
Diethyl 2-[tert-butyl(dimethyl)silyl]oxypentanedioate
CID 87206553

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-5-oxopentanoic acid?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-5-oxopentanoic acid (CID 74943933) is 4-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-5-oxopentanoic acid is COC(=O)C(CCC(=O)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-5-oxopentanoic acid?
The InChIKey is MBUANYNMZYTZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O5Si/c1-12(2,3)18(5,6)17-9(11(15)16-4)7-8-10(13)14/h9H,7-8H2,1-6H3,(H,13,14).
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-5-oxopentanoic acid?
4-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-5-oxopentanoic acid has a molecular weight of 276.40 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 74943933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).