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

C13H26O4Si — CID 11962011

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-6-oxoheptanoic acid
SMILESCC(=O)CCC(CC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O4Si/c1-10(14)7-8-11(9-12(15)16)17-18(5,6)13(2,3)4/h11H,7-9H2,1-6H3,(H,15,16)
InChIKeyFXNOWHYGHQNYCB-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.22
Rot. Bonds7

About 3-[tert-butyl(dimethyl)silyl]oxy-6-oxoheptanoic acid

3-[tert-butyl(dimethyl)silyl]oxy-6-oxoheptanoic acid (PubChem CID 11962011) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-6-oxoheptanoic acid.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-6-oxoheptanoic acid
PubChem CID11962011
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-6-oxoheptanoic acid
SMILESCC(=O)CCC(CC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O4Si/c1-10(14)7-8-11(9-12(15)16)17-18(5,6)13(2,3)4/h11H,7-9H2,1-6H3,(H,15,16)
InChIKeyFXNOWHYGHQNYCB-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
(3s)-3-(Tert-butyl-dimethyl-silanyloxy)-4,4-dimethyl-5-oxo-heptanoic acid
CID 9966179
3-Trimethylsilyloxymyristic acid
CID 18546945
(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxoheptanoic acid
CID 11460855
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-Hydroxycapric acid, mono-TBDMS
CID 91752588
3-Hydroxylauric acid, mono-TBDMS
CID 91752590
3-[Tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-5-oxoheptanoic acid
CID 12080794
3-[Tert-butyl(dimethyl)silyl]oxytetradecanoic acid
CID 19373197

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-6-oxoheptanoic acid?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-6-oxoheptanoic acid (CID 11962011) is 3-[tert-butyl(dimethyl)silyl]oxy-6-oxoheptanoic acid.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-6-oxoheptanoic acid?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-6-oxoheptanoic acid is CC(=O)CCC(CC(=O)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-6-oxoheptanoic acid?
The InChIKey is FXNOWHYGHQNYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4Si/c1-10(14)7-8-11(9-12(15)16)17-18(5,6)13(2,3)4/h11H,7-9H2,1-6H3,(H,15,16).
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-6-oxoheptanoic acid?
3-[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 3-[tert-butyl(dimethyl)silyl]oxy-6-oxoheptanoic acid is sourced from PubChem (CID 11962011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).