trimethylsilyl 3-methyl-3-trimethylsilyloxypentanoate

C12H28O3Si2 — CID 553013

IUPACtrimethylsilyl 3-methyl-3-trimethylsilyloxypentanoate
SMILESCCC(C)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C12H28O3Si2/c1-9-12(2,15-17(6,7)8)10-11(13)14-16(3,4)5/h9-10H2,1-8H3
InChIKeyHXHYRISLSUNZET-UHFFFAOYSA-N
MW276.52 g/mol
LogP3.77
Rot. Bonds6

About trimethylsilyl 3-methyl-3-trimethylsilyloxypentanoate

trimethylsilyl 3-methyl-3-trimethylsilyloxypentanoate (PubChem CID 553013) has the molecular formula C12H28O3Si2 and a molecular weight of 276.52 g/mol. Its IUPAC name is trimethylsilyl 3-methyl-3-trimethylsilyloxypentanoate.

Molecular Properties

Compound Nametrimethylsilyl 3-methyl-3-trimethylsilyloxypentanoate
PubChem CID553013
Molecular FormulaC12H28O3Si2
Molecular Weight276.52 g/mol
Exact Mass276.16
IUPAC Nametrimethylsilyl 3-methyl-3-trimethylsilyloxypentanoate
SMILESCCC(C)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C12H28O3Si2/c1-9-12(2,15-17(6,7)8)10-11(13)14-16(3,4)5/h9-10H2,1-8H3
InChIKeyHXHYRISLSUNZET-UHFFFAOYSA-N
XLogP3.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.52
LogP ≤ 53.77
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

3-Trimethylsilyloxyisovaleric acid,trimethylsilyl ester
CID 521571
Pentanedioic acid, 3-methyl-3-[(trimethylsilyl)oxy]-, bis(trimethylsilyl) ester
CID 521668
2,4-Dodeoxy-3-C-methylpentonic acid, tris-TMS
CID 523315
3-Hydroxy-3-methylglutarate, TBDMS
CID 552407
Mevalonic acid, TMS
CID 91748333
3-Hydroxy-3-methylglutaric acid, TMS # 1
CID 91749589
Ethyl 3-trimethylsilyloxy-3-methyl valerate
CID 552392
2-Ethyl-3-trimethylsilyloxy-3-methylvaleric acid, trimethylsilyl ester
CID 553015
3-Ethyl-3-hydroxyglutaric acid tri(trimethylsilyl) deriv.
CID 553131
Pentanoic acid, 3-methyl-3,5-bis[(trimethylsilyl)oxy]-, methyl ester
CID 553345
3-Ethyl-3-triethylsilyloxypentanoic acid
CID 87444669
Ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 10683749

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 3-methyl-3-trimethylsilyloxypentanoate?
The IUPAC name of trimethylsilyl 3-methyl-3-trimethylsilyloxypentanoate (CID 553013) is trimethylsilyl 3-methyl-3-trimethylsilyloxypentanoate.
What is the SMILES notation for trimethylsilyl 3-methyl-3-trimethylsilyloxypentanoate?
The canonical SMILES for trimethylsilyl 3-methyl-3-trimethylsilyloxypentanoate is CCC(C)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 3-methyl-3-trimethylsilyloxypentanoate?
The InChIKey is HXHYRISLSUNZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O3Si2/c1-9-12(2,15-17(6,7)8)10-11(13)14-16(3,4)5/h9-10H2,1-8H3.
What are the key properties of trimethylsilyl 3-methyl-3-trimethylsilyloxypentanoate?
trimethylsilyl 3-methyl-3-trimethylsilyloxypentanoate has a molecular weight of 276.52 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 3-methyl-3-trimethylsilyloxypentanoate is sourced from PubChem (CID 553013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).