[ethoxy(dimethyl)silyl]methyl 2,2-dimethylbutanoate

C11H24O3Si — CID 140870325

IUPAC[ethoxy(dimethyl)silyl]methyl 2,2-dimethylbutanoate
SMILESCCO[Si](C)(C)COC(=O)C(C)(C)CC
InChIInChI=1S/C11H24O3Si/c1-7-11(3,4)10(12)13-9-15(5,6)14-8-2/h7-9H2,1-6H3
InChIKeyXTFVDLGDCAEAAC-UHFFFAOYSA-N
MW232.40 g/mol
LogP2.75
Rot. Bonds6

About [ethoxy(dimethyl)silyl]methyl 2,2-dimethylbutanoate

[ethoxy(dimethyl)silyl]methyl 2,2-dimethylbutanoate (PubChem CID 140870325) has the molecular formula C11H24O3Si and a molecular weight of 232.40 g/mol. Its IUPAC name is [ethoxy(dimethyl)silyl]methyl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name[ethoxy(dimethyl)silyl]methyl 2,2-dimethylbutanoate
PubChem CID140870325
Molecular FormulaC11H24O3Si
Molecular Weight232.40 g/mol
Exact Mass232.15
IUPAC Name[ethoxy(dimethyl)silyl]methyl 2,2-dimethylbutanoate
SMILESCCO[Si](C)(C)COC(=O)C(C)(C)CC
InChIInChI=1S/C11H24O3Si/c1-7-11(3,4)10(12)13-9-15(5,6)14-8-2/h7-9H2,1-6H3
InChIKeyXTFVDLGDCAEAAC-UHFFFAOYSA-N
XLogP2.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.40
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tris(trimethylsilyloxy)silylmethyl 2,2-dimethylbutanoate
CID 20708550
fluoroethane;fluoromethyl 2,2-dimethylbutanoate
CID 91194207
(2-methyl-2-trimethylsilylpropyl) 2,2-dimethylbutanoate
CID 59893089
iodomethyl 2,2-dimethylbutanoate
CID 14459667
ethyl 2,2-dimethylbutanoate
CID 20744002
2-tris(trimethylsilyl)silylethyl 2,2-dimethylbutanoate
CID 58927101
13-(2,2-dimethylbutanoyloxy)tridecyl 2,2-dimethylbutanoate
CID 160888963
methoxymethyl 2,2-dimethylbutanoate
CID 18731138
2,2-dimethylbutanoic acid;methane;3-triethoxysilylpropyl 2,2-dimethylbutanoate
CID 158924041
(4-methyl-4-trimethylsilylpentyl) 2,2-dimethylbutanoate
CID 22889670
3,3-dimethylbutyl 2,2-dimethylbutanoate
CID 59126222
2-hydroxyprop-2-enyl 2,2-dimethylbutanoate
CID 87159504

Frequently Asked Questions

What is the IUPAC name of [ethoxy(dimethyl)silyl]methyl 2,2-dimethylbutanoate?
The IUPAC name of [ethoxy(dimethyl)silyl]methyl 2,2-dimethylbutanoate (CID 140870325) is [ethoxy(dimethyl)silyl]methyl 2,2-dimethylbutanoate.
What is the SMILES notation for [ethoxy(dimethyl)silyl]methyl 2,2-dimethylbutanoate?
The canonical SMILES for [ethoxy(dimethyl)silyl]methyl 2,2-dimethylbutanoate is CCO[Si](C)(C)COC(=O)C(C)(C)CC.
What is the InChIKey of [ethoxy(dimethyl)silyl]methyl 2,2-dimethylbutanoate?
The InChIKey is XTFVDLGDCAEAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3Si/c1-7-11(3,4)10(12)13-9-15(5,6)14-8-2/h7-9H2,1-6H3.
What are the key properties of [ethoxy(dimethyl)silyl]methyl 2,2-dimethylbutanoate?
[ethoxy(dimethyl)silyl]methyl 2,2-dimethylbutanoate has a molecular weight of 232.40 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy(dimethyl)silyl]methyl 2,2-dimethylbutanoate is sourced from PubChem (CID 140870325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).