3-trimethylsilyloxysilylpropyl 2,2-dimethylbutanoate

C12H28O3Si2 — CID 123433875

IUPAC3-trimethylsilyloxysilylpropyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCCC[SiH2]O[Si](C)(C)C
InChIInChI=1S/C12H28O3Si2/c1-7-12(2,3)11(13)14-9-8-10-16-15-17(4,5)6/h7-10,16H2,1-6H3
InChIKeyGVGCZWHKADNDDU-UHFFFAOYSA-N
MW276.52 g/mol
LogP2.71
Rot. Bonds8

About 3-trimethylsilyloxysilylpropyl 2,2-dimethylbutanoate

3-trimethylsilyloxysilylpropyl 2,2-dimethylbutanoate (PubChem CID 123433875) has the molecular formula C12H28O3Si2 and a molecular weight of 276.52 g/mol. Its IUPAC name is 3-trimethylsilyloxysilylpropyl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name3-trimethylsilyloxysilylpropyl 2,2-dimethylbutanoate
PubChem CID123433875
Molecular FormulaC12H28O3Si2
Molecular Weight276.52 g/mol
Exact Mass276.16
IUPAC Name3-trimethylsilyloxysilylpropyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCCC[SiH2]O[Si](C)(C)C
InChIInChI=1S/C12H28O3Si2/c1-7-12(2,3)11(13)14-9-8-10-16-15-17(4,5)6/h7-10,16H2,1-6H3
InChIKeyGVGCZWHKADNDDU-UHFFFAOYSA-N
XLogP2.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.52
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-triphenylsilyloxysilylpropyl 2,2-dimethylbutanoate
CID 123185629
13-(2,2-dimethylbutanoyloxy)tridecyl 2,2-dimethylbutanoate
CID 160888963
(4-methyl-4-trimethylsilylpentyl) 2,2-dimethylbutanoate
CID 22889670
pentyl 2,2-dimethylbutanoate
CID 59940538
3-aminopropyl 2,2-dimethylbutanoate
CID 88947753
3-sulfanylpropyl 2,2-dimethylbutanoate
CID 89322969
tridecyl 2,2-dimethylbutanoate
CID 59651442
4-oxopentyl 2,2-dimethylbutanoate
CID 167427927
3-prop-2-enoyloxypropyl 2,2-dimethylbutanoate
CID 23396729
ethenyl 3-trimethylsilyloxysilylpropyl carbonate
CID 173234735
2-tris(trimethylsilyl)silylethyl 2,2-dimethylbutanoate
CID 58927101
3-tritritiooxysilylpropyl 2,2-dimethylbutanoate
CID 140697808

Frequently Asked Questions

What is the IUPAC name of 3-trimethylsilyloxysilylpropyl 2,2-dimethylbutanoate?
The IUPAC name of 3-trimethylsilyloxysilylpropyl 2,2-dimethylbutanoate (CID 123433875) is 3-trimethylsilyloxysilylpropyl 2,2-dimethylbutanoate.
What is the SMILES notation for 3-trimethylsilyloxysilylpropyl 2,2-dimethylbutanoate?
The canonical SMILES for 3-trimethylsilyloxysilylpropyl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OCCC[SiH2]O[Si](C)(C)C.
What is the InChIKey of 3-trimethylsilyloxysilylpropyl 2,2-dimethylbutanoate?
The InChIKey is GVGCZWHKADNDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O3Si2/c1-7-12(2,3)11(13)14-9-8-10-16-15-17(4,5)6/h7-10,16H2,1-6H3.
What are the key properties of 3-trimethylsilyloxysilylpropyl 2,2-dimethylbutanoate?
3-trimethylsilyloxysilylpropyl 2,2-dimethylbutanoate has a molecular weight of 276.52 g/mol, XLogP of 2.71, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilyloxysilylpropyl 2,2-dimethylbutanoate is sourced from PubChem (CID 123433875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).