2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3-oxo-2-trimethylsilyloxypentoxy]acetic acid

C19H40O6Si2 — CID 10645824

IUPAC2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3-oxo-2-trimethylsilyloxypentoxy]acetic acid
SMILESCC(C)(C)C(=O)C(COCC(=O)O)(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C19H40O6Si2/c1-17(2,3)16(22)19(25-26(7,8)9,13-23-12-15(20)21)14-24-27(10,11)18(4,5)6/h12-14H2,1-11H3,(H,20,21)
InChIKeyWAISYUKTYPSRPA-UHFFFAOYSA-N
MW420.70 g/mol
LogP4.31
Rot. Bonds10

About 2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3-oxo-2-trimethylsilyloxypentoxy]acetic acid

2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3-oxo-2-trimethylsilyloxypentoxy]acetic acid (PubChem CID 10645824) has the molecular formula C19H40O6Si2 and a molecular weight of 420.70 g/mol. Its IUPAC name is 2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3-oxo-2-trimethylsilyloxypentoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3-oxo-2-trimethylsilyloxypentoxy]acetic acid
PubChem CID10645824
Molecular FormulaC19H40O6Si2
Molecular Weight420.70 g/mol
Exact Mass420.24
IUPAC Name2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3-oxo-2-trimethylsilyloxypentoxy]acetic acid
SMILESCC(C)(C)C(=O)C(COCC(=O)O)(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C19H40O6Si2/c1-17(2,3)16(22)19(25-26(7,8)9,13-23-12-15(20)21)14-24-27(10,11)18(4,5)6/h12-14H2,1-11H3,(H,20,21)
InChIKeyWAISYUKTYPSRPA-UHFFFAOYSA-N
XLogP4.31
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.70
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3-oxo-2-trimethylsilyloxypentoxy]acetic acid with MolForge

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Related Compounds

[2-[Tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-4,4-dimethyl-3-oxopentyl] acetate
CID 10544588
1-[Tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-2-(propan-2-yloxymethyl)-2-trimethylsilyloxypentan-3-one
CID 176777346
Tert-butyl 2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-4,4-dimethyl-3-oxopentoxy]acetate
CID 10692630

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3-oxo-2-trimethylsilyloxypentoxy]acetic acid?
The IUPAC name of 2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3-oxo-2-trimethylsilyloxypentoxy]acetic acid (CID 10645824) is 2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3-oxo-2-trimethylsilyloxypentoxy]acetic acid.
What is the SMILES notation for 2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3-oxo-2-trimethylsilyloxypentoxy]acetic acid?
The canonical SMILES for 2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3-oxo-2-trimethylsilyloxypentoxy]acetic acid is CC(C)(C)C(=O)C(COCC(=O)O)(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3-oxo-2-trimethylsilyloxypentoxy]acetic acid?
The InChIKey is WAISYUKTYPSRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O6Si2/c1-17(2,3)16(22)19(25-26(7,8)9,13-23-12-15(20)21)14-24-27(10,11)18(4,5)6/h12-14H2,1-11H3,(H,20,21).
What are the key properties of 2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3-oxo-2-trimethylsilyloxypentoxy]acetic acid?
2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3-oxo-2-trimethylsilyloxypentoxy]acetic acid has a molecular weight of 420.70 g/mol, XLogP of 4.31, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3-oxo-2-trimethylsilyloxypentoxy]acetic acid is sourced from PubChem (CID 10645824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).