4-[tert-butyl(dimethyl)silyl]oxy-6-oxoheptanoic acid

C13H26O4Si — CID 101413427

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-6-oxoheptanoic acid
SMILESCC(=O)CC(CCC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O4Si/c1-10(14)9-11(7-8-12(15)16)17-18(5,6)13(2,3)4/h11H,7-9H2,1-6H3,(H,15,16)
InChIKeyRBZDXTHSLUXTRS-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.22
Rot. Bonds7

About 4-[tert-butyl(dimethyl)silyl]oxy-6-oxoheptanoic acid

4-[tert-butyl(dimethyl)silyl]oxy-6-oxoheptanoic acid (PubChem CID 101413427) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-6-oxoheptanoic acid.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-6-oxoheptanoic acid
PubChem CID101413427
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-6-oxoheptanoic acid
SMILESCC(=O)CC(CCC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O4Si/c1-10(14)9-11(7-8-12(15)16)17-18(5,6)13(2,3)4/h11H,7-9H2,1-6H3,(H,15,16)
InChIKeyRBZDXTHSLUXTRS-UHFFFAOYSA-N
XLogP3.22
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[(Tert-butyldimethylsilyl)oxy]heptanoic acid
CID 132608059
Methyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxoheptanoate
CID 10708520
3-Trimethylsiloxyoctanoic acid
CID 129830909
3-Trimethylsiloxysebacic acid
CID 129845632
methyl (3S)-6-oxo-3-trimethylsilyloxyheptanoate
CID 134878017
Trimethylsilyl-3-hydroxyadipic acid
CID 156025267
3-[Tert-butyl(dimethyl)silyl]oxytetradecanoic acid
CID 19373197
3-[Tert-butyl(dimethyl)silyl]oxyicosanoic acid
CID 19373229
7-[Tert-butyl(dimethyl)silyl]oxy-2,4-dioxoheptanoic acid
CID 22246803
(R)-3-[(1,1-dimethylethyl)dimethylsilyloxy]tetradecanoic acid
CID 54310188
9-(Tert-butyl-dimethyl-silanyloxy)-heptadecanedioic acid
CID 86691089
(3S)-3-[tert-butyl(dimethyl)silyl]oxytetradecanoic acid
CID 87879156

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-6-oxoheptanoic acid?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-6-oxoheptanoic acid (CID 101413427) is 4-[tert-butyl(dimethyl)silyl]oxy-6-oxoheptanoic acid.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-6-oxoheptanoic acid?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-6-oxoheptanoic acid is CC(=O)CC(CCC(=O)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-6-oxoheptanoic acid?
The InChIKey is RBZDXTHSLUXTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4Si/c1-10(14)9-11(7-8-12(15)16)17-18(5,6)13(2,3)4/h11H,7-9H2,1-6H3,(H,15,16).
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-6-oxoheptanoic acid?
4-[tert-butyl(dimethyl)silyl]oxy-6-oxoheptanoic acid has a molecular weight of 274.43 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-6-oxoheptanoic acid is sourced from PubChem (CID 101413427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).