7-[tert-butyl(dimethyl)silyl]oxy-2,4-dioxoheptanoic acid

C13H24O5Si — CID 22246803

IUPAC7-[tert-butyl(dimethyl)silyl]oxy-2,4-dioxoheptanoic acid
SMILESCC(C)(C)[Si](C)(C)OCCCC(=O)CC(=O)C(=O)O
InChIInChI=1S/C13H24O5Si/c1-13(2,3)19(4,5)18-8-6-7-10(14)9-11(15)12(16)17/h6-9H2,1-5H3,(H,16,17)
InChIKeyRGUFMWXJWKRXMA-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.40
Rot. Bonds8

About 7-[tert-butyl(dimethyl)silyl]oxy-2,4-dioxoheptanoic acid

7-[tert-butyl(dimethyl)silyl]oxy-2,4-dioxoheptanoic acid (PubChem CID 22246803) has the molecular formula C13H24O5Si and a molecular weight of 288.42 g/mol. Its IUPAC name is 7-[tert-butyl(dimethyl)silyl]oxy-2,4-dioxoheptanoic acid.

Molecular Properties

Compound Name7-[tert-butyl(dimethyl)silyl]oxy-2,4-dioxoheptanoic acid
PubChem CID22246803
Molecular FormulaC13H24O5Si
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name7-[tert-butyl(dimethyl)silyl]oxy-2,4-dioxoheptanoic acid
SMILESCC(C)(C)[Si](C)(C)OCCCC(=O)CC(=O)C(=O)O
InChIInChI=1S/C13H24O5Si/c1-13(2,3)19(4,5)18-8-6-7-10(14)9-11(15)12(16)17/h6-9H2,1-5H3,(H,16,17)
InChIKeyRGUFMWXJWKRXMA-UHFFFAOYSA-N
XLogP2.40
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

6-[Tert-butyl(dimethyl)silyl]oxy-2-oxohexanoic acid
CID 134916975
Ethyl 7-[(tert-butyldimethylsilyl)oxy]-2,4-dioxoheptanoate
CID 54073086
4-Oxo-8-triethoxysilyloctanoic acid
CID 157623074
15-[Tert-butyl(dimethyl)silyl]oxy-9-oxopentadecanoic acid
CID 168962220
12-[Tert-butyl(dimethyl)silyl]oxy-9-oxododecanoic acid
CID 172326455
3-(Ethoxymethylsilyl)-2-oxooctanoic acid
CID 173256468
5-[Ethoxy(methyl)silyl]-2-oxooctanoic acid
CID 173265343
3-Oxo-7-triethoxysilylheptanoic acid
CID 174981558
3-[Tert-butyl(dimethyl)silyl]oxy-6-oxoheptanoic acid
CID 11962011
4-[Tert-butyl(dimethyl)silyl]oxy-6-oxoheptanoic acid
CID 101413427
3-Acetyl-2-oxo-6-triethoxysilylhexanoic acid
CID 129760748
14-[Methoxy(dimethyl)silyl]-4-oxotetradecanoic acid
CID 161078505

Frequently Asked Questions

What is the IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxy-2,4-dioxoheptanoic acid?
The IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxy-2,4-dioxoheptanoic acid (CID 22246803) is 7-[tert-butyl(dimethyl)silyl]oxy-2,4-dioxoheptanoic acid.
What is the SMILES notation for 7-[tert-butyl(dimethyl)silyl]oxy-2,4-dioxoheptanoic acid?
The canonical SMILES for 7-[tert-butyl(dimethyl)silyl]oxy-2,4-dioxoheptanoic acid is CC(C)(C)[Si](C)(C)OCCCC(=O)CC(=O)C(=O)O.
What is the InChIKey of 7-[tert-butyl(dimethyl)silyl]oxy-2,4-dioxoheptanoic acid?
The InChIKey is RGUFMWXJWKRXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O5Si/c1-13(2,3)19(4,5)18-8-6-7-10(14)9-11(15)12(16)17/h6-9H2,1-5H3,(H,16,17).
What are the key properties of 7-[tert-butyl(dimethyl)silyl]oxy-2,4-dioxoheptanoic acid?
7-[tert-butyl(dimethyl)silyl]oxy-2,4-dioxoheptanoic acid has a molecular weight of 288.42 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[tert-butyl(dimethyl)silyl]oxy-2,4-dioxoheptanoic acid is sourced from PubChem (CID 22246803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).