trimethylsilyl 2,4-dimethyl-3-trimethylsilyloxypentanoate

C13H30O3Si2 — CID 553014

IUPACtrimethylsilyl 2,4-dimethyl-3-trimethylsilyloxypentanoate
SMILESCC(C)C(O[Si](C)(C)C)C(C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C13H30O3Si2/c1-10(2)12(15-17(4,5)6)11(3)13(14)16-18(7,8)9/h10-12H,1-9H3
InChIKeyYSLPGKLCGACVGW-UHFFFAOYSA-N
MW290.55 g/mol
LogP3.88
Rot. Bonds6

About trimethylsilyl 2,4-dimethyl-3-trimethylsilyloxypentanoate

trimethylsilyl 2,4-dimethyl-3-trimethylsilyloxypentanoate (PubChem CID 553014) has the molecular formula C13H30O3Si2 and a molecular weight of 290.55 g/mol. Its IUPAC name is trimethylsilyl 2,4-dimethyl-3-trimethylsilyloxypentanoate.

Molecular Properties

Compound Nametrimethylsilyl 2,4-dimethyl-3-trimethylsilyloxypentanoate
PubChem CID553014
Molecular FormulaC13H30O3Si2
Molecular Weight290.55 g/mol
Exact Mass290.17
IUPAC Nametrimethylsilyl 2,4-dimethyl-3-trimethylsilyloxypentanoate
SMILESCC(C)C(O[Si](C)(C)C)C(C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C13H30O3Si2/c1-10(2)12(15-17(4,5)6)11(3)13(14)16-18(7,8)9/h10-12H,1-9H3
InChIKeyYSLPGKLCGACVGW-UHFFFAOYSA-N
XLogP3.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.55
LogP ≤ 53.88
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

(4S,5R)-4,6-dimethyl-5-trimethylsilyloxyheptan-3-one
CID 11701394
tris(trimethylsilyl) propane-1,1,2-tricarboxylate
CID 553637
trimethylsilyl (2S,3R,4R,5S)-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate
CID 523378
bis(trimethylsilyl) (2S,4R)-2,4-bis(trimethylsilyloxy)pentanedioate
CID 523360
trimethylsilyl (2S,4S)-2,4-bis(trimethylsilyloxy)pentanoate
CID 523348
trimethylsilyl (3R,4S)-2,3,4,5-tetrakis(trimethylsilyloxy)pentanoate
CID 91753644
trimethylsilyl 2-amino-3,3-dimethylbutanoate
CID 90102815
trimethylsilyl (2S)-2-[[(2S)-2,3-dimethylbutanoyl]-methylamino]-3-methylbutanoate
CID 165044908
bis(trimethylsilyl) 2-trimethylsilyloxybutanedioate
CID 522155
(4S,5R,6S)-4,6-dimethyl-5-trimethylsilyloxyoctan-3-one
CID 102183052
bis(trimethylsilyl) (2S,3R)-2-ethenyl-3-trimethylsilyloxybutanedioate
CID 11849993
trimethylsilyl (2R,3S,4R,5R)-6-methoxyimino-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate
CID 91753465

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2,4-dimethyl-3-trimethylsilyloxypentanoate?
The IUPAC name of trimethylsilyl 2,4-dimethyl-3-trimethylsilyloxypentanoate (CID 553014) is trimethylsilyl 2,4-dimethyl-3-trimethylsilyloxypentanoate.
What is the SMILES notation for trimethylsilyl 2,4-dimethyl-3-trimethylsilyloxypentanoate?
The canonical SMILES for trimethylsilyl 2,4-dimethyl-3-trimethylsilyloxypentanoate is CC(C)C(O[Si](C)(C)C)C(C)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2,4-dimethyl-3-trimethylsilyloxypentanoate?
The InChIKey is YSLPGKLCGACVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30O3Si2/c1-10(2)12(15-17(4,5)6)11(3)13(14)16-18(7,8)9/h10-12H,1-9H3.
What are the key properties of trimethylsilyl 2,4-dimethyl-3-trimethylsilyloxypentanoate?
trimethylsilyl 2,4-dimethyl-3-trimethylsilyloxypentanoate has a molecular weight of 290.55 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2,4-dimethyl-3-trimethylsilyloxypentanoate is sourced from PubChem (CID 553014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).