trimethylsilyl 2-methyl-4-trimethylsilyloxypentanoate

C12H28O3Si2 — CID 14440990

IUPACtrimethylsilyl 2-methyl-4-trimethylsilyloxypentanoate
SMILESCC(CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C12H28O3Si2/c1-10(12(13)15-17(6,7)8)9-11(2)14-16(3,4)5/h10-11H,9H2,1-8H3
InChIKeyOFUFVAADWLSBEA-UHFFFAOYSA-N
MW276.52 g/mol
LogP3.63
Rot. Bonds6

About trimethylsilyl 2-methyl-4-trimethylsilyloxypentanoate

trimethylsilyl 2-methyl-4-trimethylsilyloxypentanoate (PubChem CID 14440990) has the molecular formula C12H28O3Si2 and a molecular weight of 276.52 g/mol. Its IUPAC name is trimethylsilyl 2-methyl-4-trimethylsilyloxypentanoate.

Molecular Properties

Compound Nametrimethylsilyl 2-methyl-4-trimethylsilyloxypentanoate
PubChem CID14440990
Molecular FormulaC12H28O3Si2
Molecular Weight276.52 g/mol
Exact Mass276.16
IUPAC Nametrimethylsilyl 2-methyl-4-trimethylsilyloxypentanoate
SMILESCC(CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C12H28O3Si2/c1-10(12(13)15-17(6,7)8)9-11(2)14-16(3,4)5/h10-11H,9H2,1-8H3
InChIKeyOFUFVAADWLSBEA-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
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

ethyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate
CID 101906521
Trimethylsilyl 4-methyl-2-[(trimethylsilyl)oxy]pentanoate
CID 521553
3-Methyl-4-trimethylsiloxy(trimethylsilyl)butyrate
CID 523685
Trimethylsilyl 2-methyl-3-[(trimethylsilyl)oxy]pentanoate
CID 528643
4-Trimethylsiloxy(trimethylsilyl)valerate
CID 528653
methyl (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 44232635
methyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 139252727
Pentanoic acid, 4-hydroxy-2-propyl, bis-TMS, # 1
CID 526140
2-Methyl-3-hydroxyvaleric acid, diTMS (1)
CID 91747802
2-Methyl-3-hydroxyvaleric acid, diTMS (2)
CID 91747803
2-Ethyl-3-trimethylsilyloxy(trimethylsilyl)valerate
CID 552948
Trimethylsilyl 2,4-dimethyl-3-trimethylsilyloxypentanoate
CID 553014

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-methyl-4-trimethylsilyloxypentanoate?
The IUPAC name of trimethylsilyl 2-methyl-4-trimethylsilyloxypentanoate (CID 14440990) is trimethylsilyl 2-methyl-4-trimethylsilyloxypentanoate.
What is the SMILES notation for trimethylsilyl 2-methyl-4-trimethylsilyloxypentanoate?
The canonical SMILES for trimethylsilyl 2-methyl-4-trimethylsilyloxypentanoate is CC(CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-methyl-4-trimethylsilyloxypentanoate?
The InChIKey is OFUFVAADWLSBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O3Si2/c1-10(12(13)15-17(6,7)8)9-11(2)14-16(3,4)5/h10-11H,9H2,1-8H3.
What are the key properties of trimethylsilyl 2-methyl-4-trimethylsilyloxypentanoate?
trimethylsilyl 2-methyl-4-trimethylsilyloxypentanoate has a molecular weight of 276.52 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-methyl-4-trimethylsilyloxypentanoate is sourced from PubChem (CID 14440990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).