1-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)propan-2-one

C13H28O5Si — CID 11066269

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)propan-2-one
SMILESCOCCOCOCC(=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O5Si/c1-13(2,3)19(5,6)18-10-12(14)9-17-11-16-8-7-15-4/h7-11H2,1-6H3
InChIKeyGEFUNLZZLHWLKI-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.21
Rot. Bonds10

About 1-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)propan-2-one

1-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)propan-2-one (PubChem CID 11066269) has the molecular formula C13H28O5Si and a molecular weight of 292.45 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)propan-2-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)propan-2-one
PubChem CID11066269
Molecular FormulaC13H28O5Si
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)propan-2-one
SMILESCOCCOCOCC(=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O5Si/c1-13(2,3)19(5,6)18-10-12(14)9-17-11-16-8-7-15-4/h7-11H2,1-6H3
InChIKeyGEFUNLZZLHWLKI-UHFFFAOYSA-N
XLogP2.21
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-one
CID 23050306
methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propanoate
CID 10912867
1-[Tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)propan-2-one
CID 125478992

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)propan-2-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)propan-2-one (CID 11066269) is 1-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)propan-2-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)propan-2-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)propan-2-one is COCCOCOCC(=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)propan-2-one?
The InChIKey is GEFUNLZZLHWLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O5Si/c1-13(2,3)19(5,6)18-10-12(14)9-17-11-16-8-7-15-4/h7-11H2,1-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)propan-2-one?
1-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)propan-2-one has a molecular weight of 292.45 g/mol, XLogP of 2.21, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)propan-2-one is sourced from PubChem (CID 11066269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).