2-acetyl-8-[tert-butyl(dimethyl)silyl]oxy-2-methyloctanoic acid

C17H34O4Si — CID 123934980

IUPAC2-acetyl-8-[tert-butyl(dimethyl)silyl]oxy-2-methyloctanoic acid
SMILESCC(=O)C(C)(CCCCCCO[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C17H34O4Si/c1-14(18)17(5,15(19)20)12-10-8-9-11-13-21-22(6,7)16(2,3)4/h8-13H2,1-7H3,(H,19,20)
InChIKeyWIIMVFQPSDVIPC-UHFFFAOYSA-N
MW330.54 g/mol
LogP4.64
Rot. Bonds10

About 2-acetyl-8-[tert-butyl(dimethyl)silyl]oxy-2-methyloctanoic acid

2-acetyl-8-[tert-butyl(dimethyl)silyl]oxy-2-methyloctanoic acid (PubChem CID 123934980) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is 2-acetyl-8-[tert-butyl(dimethyl)silyl]oxy-2-methyloctanoic acid.

Molecular Properties

Compound Name2-acetyl-8-[tert-butyl(dimethyl)silyl]oxy-2-methyloctanoic acid
PubChem CID123934980
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Name2-acetyl-8-[tert-butyl(dimethyl)silyl]oxy-2-methyloctanoic acid
SMILESCC(=O)C(C)(CCCCCCO[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C17H34O4Si/c1-14(18)17(5,15(19)20)12-10-8-9-11-13-21-22(6,7)16(2,3)4/h8-13H2,1-7H3,(H,19,20)
InChIKeyWIIMVFQPSDVIPC-UHFFFAOYSA-N
XLogP4.64
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;6-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol
CID 71376160
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
7-[tert-butyl(dimethyl)silyl]oxyheptyl acetate
CID 102305322
tert-butyl-hexacosoxy-dimethylsilane
CID 6430213
15-[tert-butyl(dimethyl)silyl]oxy-9-oxopentadecanoic acid
CID 168962220
22-[tert-butyl(dimethyl)silyl]oxydocosan-1-ol
CID 15229755
8-[tert-butyl(dimethyl)silyl]oxyoctan-1-ol
CID 11043515
(E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enoic acid
CID 87313123
[(6S)-16-[tert-butyl(dimethyl)silyl]oxyhexadecan-6-yl] acetate
CID 10669508
10-[tert-butyl(dimethyl)silyl]oxy-1,1-dideuteriodecan-1-ol
CID 102212924

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-8-[tert-butyl(dimethyl)silyl]oxy-2-methyloctanoic acid?
The IUPAC name of 2-acetyl-8-[tert-butyl(dimethyl)silyl]oxy-2-methyloctanoic acid (CID 123934980) is 2-acetyl-8-[tert-butyl(dimethyl)silyl]oxy-2-methyloctanoic acid.
What is the SMILES notation for 2-acetyl-8-[tert-butyl(dimethyl)silyl]oxy-2-methyloctanoic acid?
The canonical SMILES for 2-acetyl-8-[tert-butyl(dimethyl)silyl]oxy-2-methyloctanoic acid is CC(=O)C(C)(CCCCCCO[Si](C)(C)C(C)(C)C)C(=O)O.
What is the InChIKey of 2-acetyl-8-[tert-butyl(dimethyl)silyl]oxy-2-methyloctanoic acid?
The InChIKey is WIIMVFQPSDVIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O4Si/c1-14(18)17(5,15(19)20)12-10-8-9-11-13-21-22(6,7)16(2,3)4/h8-13H2,1-7H3,(H,19,20).
What are the key properties of 2-acetyl-8-[tert-butyl(dimethyl)silyl]oxy-2-methyloctanoic acid?
2-acetyl-8-[tert-butyl(dimethyl)silyl]oxy-2-methyloctanoic acid has a molecular weight of 330.54 g/mol, XLogP of 4.64, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-8-[tert-butyl(dimethyl)silyl]oxy-2-methyloctanoic acid is sourced from PubChem (CID 123934980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).