trimethylsilyl 3-trimethylsilyloxypentanoate

C11H26O3Si2 — CID 522723

IUPACtrimethylsilyl 3-trimethylsilyloxypentanoate
SMILESCCC(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C11H26O3Si2/c1-8-10(13-15(2,3)4)9-11(12)14-16(5,6)7/h10H,8-9H2,1-7H3
InChIKeyMXLUVLLKKRDFHE-UHFFFAOYSA-N
MW262.50 g/mol
LogP3.38
Rot. Bonds6

About trimethylsilyl 3-trimethylsilyloxypentanoate

trimethylsilyl 3-trimethylsilyloxypentanoate (PubChem CID 522723) has the molecular formula C11H26O3Si2 and a molecular weight of 262.50 g/mol. Its IUPAC name is trimethylsilyl 3-trimethylsilyloxypentanoate.

Molecular Properties

Compound Nametrimethylsilyl 3-trimethylsilyloxypentanoate
PubChem CID522723
Molecular FormulaC11H26O3Si2
Molecular Weight262.50 g/mol
Exact Mass262.14
IUPAC Nametrimethylsilyl 3-trimethylsilyloxypentanoate
SMILESCCC(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C11H26O3Si2/c1-8-10(13-15(2,3)4)9-11(12)14-16(5,6)7/h10H,8-9H2,1-7H3
InChIKeyMXLUVLLKKRDFHE-UHFFFAOYSA-N
XLogP3.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.50
LogP ≤ 53.38
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

beta-Hydroxybutyric acid (tms)
CID 521577
Butanoic acid, 3-trimethylsilyloxy-, ethyl ester
CID 554460
Butanoic acid, 2-methyl-3-[(trimethylsilyl)oxy]-, trimethylsilyl ester
CID 521655
2-Trimethylsiloxyvaleric acid, trimethylsilyl ester
CID 521692
3-Trimethylsiloxy(trimethylsilyl)caproate
CID 526006
Trimethylsilyl 2-methyl-3-[(trimethylsilyl)oxy]pentanoate
CID 528643
4-Trimethylsiloxy(trimethylsilyl)valerate
CID 528653
trimethylsilyl (3R)-3-trimethylsilyloxybutanoate
CID 13724699
ethyl (3S)-3-trimethylsilyloxybutanoate
CID 101671320
methyl (3R)-3-triethylsilyloxyhexanoate
CID 135041151
3-Hydroxyglutaric acid, tri-TMS
CID 523314
2,5-Dideoxypentonic acid, tris-TMS
CID 523318

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 3-trimethylsilyloxypentanoate?
The IUPAC name of trimethylsilyl 3-trimethylsilyloxypentanoate (CID 522723) is trimethylsilyl 3-trimethylsilyloxypentanoate.
What is the SMILES notation for trimethylsilyl 3-trimethylsilyloxypentanoate?
The canonical SMILES for trimethylsilyl 3-trimethylsilyloxypentanoate is CCC(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 3-trimethylsilyloxypentanoate?
The InChIKey is MXLUVLLKKRDFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26O3Si2/c1-8-10(13-15(2,3)4)9-11(12)14-16(5,6)7/h10H,8-9H2,1-7H3.
What are the key properties of trimethylsilyl 3-trimethylsilyloxypentanoate?
trimethylsilyl 3-trimethylsilyloxypentanoate has a molecular weight of 262.50 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 3-trimethylsilyloxypentanoate is sourced from PubChem (CID 522723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).