trimethylsilyl 2-(5-oxooxolan-2-yl)acetate

C9H16O4Si — CID 526004

IUPACtrimethylsilyl 2-(5-oxooxolan-2-yl)acetate
SMILESC[Si](C)(C)OC(=O)CC1CCC(=O)O1
InChIInChI=1S/C9H16O4Si/c1-14(2,3)13-9(11)6-7-4-5-8(10)12-7/h7H,4-6H2,1-3H3
InChIKeyRASUFFJSOATALI-UHFFFAOYSA-N
MW216.31 g/mol
LogP1.46
Rot. Bonds3

About trimethylsilyl 2-(5-oxooxolan-2-yl)acetate

trimethylsilyl 2-(5-oxooxolan-2-yl)acetate (PubChem CID 526004) has the molecular formula C9H16O4Si and a molecular weight of 216.31 g/mol. Its IUPAC name is trimethylsilyl 2-(5-oxooxolan-2-yl)acetate.

Molecular Properties

Compound Nametrimethylsilyl 2-(5-oxooxolan-2-yl)acetate
PubChem CID526004
Molecular FormulaC9H16O4Si
Molecular Weight216.31 g/mol
Exact Mass216.08
IUPAC Nametrimethylsilyl 2-(5-oxooxolan-2-yl)acetate
SMILESC[Si](C)(C)OC(=O)CC1CCC(=O)O1
InChIInChI=1S/C9H16O4Si/c1-14(2,3)13-9(11)6-7-4-5-8(10)12-7/h7H,4-6H2,1-3H3
InChIKeyRASUFFJSOATALI-UHFFFAOYSA-N
XLogP1.46
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Trimethylsiloxy(trimethylsilyl)caproate
CID 526006
Hexanedioic acid, 3-trimethylsiloxy-, bis(trimethylsilyl) ester
CID 528649
Propan-2-yl 2-(oxolan-2-yl)acetate
CID 60768696
Methyl 3-triethylsilylperoxyhexanoate
CID 85612780
5-(2-Trimethylsilyloxypropyl)dihydro-2(3h)furanone
CID 129691952
methyl (3S)-6-oxo-3-trimethylsilyloxyheptanoate
CID 134878017
methyl (3R)-3-triethylsilyloxyhexanoate
CID 135041151
2,6-Dideoxy-ribo-hexonic acid, 1,4-lactone, TMS
CID 6427151
3,6-Epoxydodecanedioic acid, diTMS
CID 6430473
3,6-Epoxytetradecanedioic acid, diTMS
CID 6430474
3-(5-Oxooxolan-2-yl)propanoic acid, TMS derivative
CID 554447
Methyl (R)-2-(5-oxotetrahydrofuran-2-yl)acetate
CID 11182754

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-(5-oxooxolan-2-yl)acetate?
The IUPAC name of trimethylsilyl 2-(5-oxooxolan-2-yl)acetate (CID 526004) is trimethylsilyl 2-(5-oxooxolan-2-yl)acetate.
What is the SMILES notation for trimethylsilyl 2-(5-oxooxolan-2-yl)acetate?
The canonical SMILES for trimethylsilyl 2-(5-oxooxolan-2-yl)acetate is C[Si](C)(C)OC(=O)CC1CCC(=O)O1.
What is the InChIKey of trimethylsilyl 2-(5-oxooxolan-2-yl)acetate?
The InChIKey is RASUFFJSOATALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4Si/c1-14(2,3)13-9(11)6-7-4-5-8(10)12-7/h7H,4-6H2,1-3H3.
What are the key properties of trimethylsilyl 2-(5-oxooxolan-2-yl)acetate?
trimethylsilyl 2-(5-oxooxolan-2-yl)acetate has a molecular weight of 216.31 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-(5-oxooxolan-2-yl)acetate is sourced from PubChem (CID 526004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).