trimethylsilyl 3-trimethylsilyloxybutanoate

C10H24O3Si2 — CID 521577

IUPACtrimethylsilyl 3-trimethylsilyloxybutanoate
SMILESCC(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C10H24O3Si2/c1-9(12-14(2,3)4)8-10(11)13-15(5,6)7/h9H,8H2,1-7H3
InChIKeyYWRIHOYCAHATJN-UHFFFAOYSA-N
MW248.47 g/mol
LogP2.99
Rot. Bonds5

About trimethylsilyl 3-trimethylsilyloxybutanoate

trimethylsilyl 3-trimethylsilyloxybutanoate (PubChem CID 521577) has the molecular formula C10H24O3Si2 and a molecular weight of 248.47 g/mol. Its IUPAC name is trimethylsilyl 3-trimethylsilyloxybutanoate.

Molecular Properties

Compound Nametrimethylsilyl 3-trimethylsilyloxybutanoate
PubChem CID521577
Molecular FormulaC10H24O3Si2
Molecular Weight248.47 g/mol
Exact Mass248.13
IUPAC Nametrimethylsilyl 3-trimethylsilyloxybutanoate
SMILESCC(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C10H24O3Si2/c1-9(12-14(2,3)4)8-10(11)13-15(5,6)7/h9H,8H2,1-7H3
InChIKeyYWRIHOYCAHATJN-UHFFFAOYSA-N
XLogP2.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.47
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 3-trimethylsilyloxybutanoate?
The IUPAC name of trimethylsilyl 3-trimethylsilyloxybutanoate (CID 521577) is trimethylsilyl 3-trimethylsilyloxybutanoate.
What is the SMILES notation for trimethylsilyl 3-trimethylsilyloxybutanoate?
The canonical SMILES for trimethylsilyl 3-trimethylsilyloxybutanoate is CC(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 3-trimethylsilyloxybutanoate?
The InChIKey is YWRIHOYCAHATJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24O3Si2/c1-9(12-14(2,3)4)8-10(11)13-15(5,6)7/h9H,8H2,1-7H3.
What are the key properties of trimethylsilyl 3-trimethylsilyloxybutanoate?
trimethylsilyl 3-trimethylsilyloxybutanoate has a molecular weight of 248.47 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 3-trimethylsilyloxybutanoate is sourced from PubChem (CID 521577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).