3-[dimethylsilyloxy(dimethoxy)silyl]propyl 2-methylbutanoate

C12H28O5Si2 — CID 123779054

IUPAC3-[dimethylsilyloxy(dimethoxy)silyl]propyl 2-methylbutanoate
SMILESCCC(C)C(=O)OCCC[Si](OC)(OC)O[SiH](C)C
InChIInChI=1S/C12H28O5Si2/c1-7-11(2)12(13)16-9-8-10-19(14-3,15-4)17-18(5)6/h11,18H,7-10H2,1-6H3
InChIKeyDJYMFFGUODTECQ-UHFFFAOYSA-N
MW308.52 g/mol
LogP2.20
Rot. Bonds10

About 3-[dimethylsilyloxy(dimethoxy)silyl]propyl 2-methylbutanoate

3-[dimethylsilyloxy(dimethoxy)silyl]propyl 2-methylbutanoate (PubChem CID 123779054) has the molecular formula C12H28O5Si2 and a molecular weight of 308.52 g/mol. Its IUPAC name is 3-[dimethylsilyloxy(dimethoxy)silyl]propyl 2-methylbutanoate.

Molecular Properties

Compound Name3-[dimethylsilyloxy(dimethoxy)silyl]propyl 2-methylbutanoate
PubChem CID123779054
Molecular FormulaC12H28O5Si2
Molecular Weight308.52 g/mol
Exact Mass308.15
IUPAC Name3-[dimethylsilyloxy(dimethoxy)silyl]propyl 2-methylbutanoate
SMILESCCC(C)C(=O)OCCC[Si](OC)(OC)O[SiH](C)C
InChIInChI=1S/C12H28O5Si2/c1-7-11(2)12(13)16-9-8-10-19(14-3,15-4)17-18(5)6/h11,18H,7-10H2,1-6H3
InChIKeyDJYMFFGUODTECQ-UHFFFAOYSA-N
XLogP2.20
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.52
LogP ≤ 52.20
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'}

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Related Compounds

8-trimethoxysilyloctyl 2-methylbutanoate
CID 140925907
3-dimethoxysilylpropyl 2-methylbutanoate
CID 159486241
1-O-(2-methoxyethyl) 6-O-(3-trimethoxysilylpropyl) 2-ethyl-5-methyl-3-oxohexanedioate
CID 166503986
3-trimethoxysilylpropyl 2-methyl-3-(2-methylaziridin-1-yl)propanoate
CID 59135525
methane;2-methoxyethyl 2-methylbutanoate
CID 165084023
propyl (2R)-2-methylbutanoate
CID 86306230
3-hydroxypropyl 2-methylbutanoate;octadecyl 2-methylbutanoate
CID 91132998
2-[2-(2-propoxyethoxy)ethoxy]ethyl 2-methyl-3-(3-trimethoxysilylpropylamino)propanoate
CID 58122243
3-cyanopropyl 2-methylbutanoate
CID 59866982
3-trimethoxysilylpropyl N-ethylcarbamate
CID 141299564
trimethyl-[3-(2-methylbutanoyloxy)propyl]azanium
CID 20764960
[dimethoxy(trimethylsilyloxy)silyl]methyl 2-methylbutanoate
CID 59661320

Frequently Asked Questions

What is the IUPAC name of 3-[dimethylsilyloxy(dimethoxy)silyl]propyl 2-methylbutanoate?
The IUPAC name of 3-[dimethylsilyloxy(dimethoxy)silyl]propyl 2-methylbutanoate (CID 123779054) is 3-[dimethylsilyloxy(dimethoxy)silyl]propyl 2-methylbutanoate.
What is the SMILES notation for 3-[dimethylsilyloxy(dimethoxy)silyl]propyl 2-methylbutanoate?
The canonical SMILES for 3-[dimethylsilyloxy(dimethoxy)silyl]propyl 2-methylbutanoate is CCC(C)C(=O)OCCC[Si](OC)(OC)O[SiH](C)C.
What is the InChIKey of 3-[dimethylsilyloxy(dimethoxy)silyl]propyl 2-methylbutanoate?
The InChIKey is DJYMFFGUODTECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O5Si2/c1-7-11(2)12(13)16-9-8-10-19(14-3,15-4)17-18(5)6/h11,18H,7-10H2,1-6H3.
What are the key properties of 3-[dimethylsilyloxy(dimethoxy)silyl]propyl 2-methylbutanoate?
3-[dimethylsilyloxy(dimethoxy)silyl]propyl 2-methylbutanoate has a molecular weight of 308.52 g/mol, XLogP of 2.20, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethylsilyloxy(dimethoxy)silyl]propyl 2-methylbutanoate is sourced from PubChem (CID 123779054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).