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

C11H24O4Si — CID 125478992

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)propan-2-one
SMILESCOCOCC(=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O4Si/c1-11(2,3)16(5,6)15-8-10(12)7-14-9-13-4/h7-9H2,1-6H3
InChIKeyWDSWKFYQYJNZLT-UHFFFAOYSA-N
MW248.39 g/mol
LogP2.20
Rot. Bonds7

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

1-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)propan-2-one (PubChem CID 125478992) has the molecular formula C11H24O4Si and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)propan-2-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)propan-2-one
PubChem CID125478992
Molecular FormulaC11H24O4Si
Molecular Weight248.39 g/mol
Exact Mass248.14
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)propan-2-one
SMILESCOCOCC(=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O4Si/c1-11(2,3)16(5,6)15-8-10(12)7-14-9-13-4/h7-9H2,1-6H3
InChIKeyWDSWKFYQYJNZLT-UHFFFAOYSA-N
XLogP2.20
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1-[Tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)propan-2-one
CID 11066269
2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-one
CID 23050306

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)propan-2-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)propan-2-one (CID 125478992) is 1-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)propan-2-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)propan-2-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)propan-2-one is COCOCC(=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)propan-2-one?
The InChIKey is WDSWKFYQYJNZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O4Si/c1-11(2,3)16(5,6)15-8-10(12)7-14-9-13-4/h7-9H2,1-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)propan-2-one?
1-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)propan-2-one has a molecular weight of 248.39 g/mol, XLogP of 2.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)propan-2-one is sourced from PubChem (CID 125478992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).