trimethylsilyl 3-(5-oxooxolan-2-yl)propanoate

C10H18O4Si — CID 554447

IUPACtrimethylsilyl 3-(5-oxooxolan-2-yl)propanoate
SMILESC[Si](C)(C)OC(=O)CCC1CCC(=O)O1
InChIInChI=1S/C10H18O4Si/c1-15(2,3)14-10(12)7-5-8-4-6-9(11)13-8/h8H,4-7H2,1-3H3
InChIKeyXUMFEWXFDDGLRL-UHFFFAOYSA-N
MW230.34 g/mol
LogP1.85
Rot. Bonds4

About trimethylsilyl 3-(5-oxooxolan-2-yl)propanoate

trimethylsilyl 3-(5-oxooxolan-2-yl)propanoate (PubChem CID 554447) has the molecular formula C10H18O4Si and a molecular weight of 230.34 g/mol. Its IUPAC name is trimethylsilyl 3-(5-oxooxolan-2-yl)propanoate.

Molecular Properties

Compound Nametrimethylsilyl 3-(5-oxooxolan-2-yl)propanoate
PubChem CID554447
Molecular FormulaC10H18O4Si
Molecular Weight230.34 g/mol
Exact Mass230.10
IUPAC Nametrimethylsilyl 3-(5-oxooxolan-2-yl)propanoate
SMILESC[Si](C)(C)OC(=O)CCC1CCC(=O)O1
InChIInChI=1S/C10H18O4Si/c1-15(2,3)14-10(12)7-5-8-4-6-9(11)13-8/h8H,4-7H2,1-3H3
InChIKeyXUMFEWXFDDGLRL-UHFFFAOYSA-N
XLogP1.85
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(5-oxooxolan-2-yl)propanoate?
The IUPAC name of trimethylsilyl 3-(5-oxooxolan-2-yl)propanoate (CID 554447) is trimethylsilyl 3-(5-oxooxolan-2-yl)propanoate.
What is the SMILES notation for trimethylsilyl 3-(5-oxooxolan-2-yl)propanoate?
The canonical SMILES for trimethylsilyl 3-(5-oxooxolan-2-yl)propanoate is C[Si](C)(C)OC(=O)CCC1CCC(=O)O1.
What is the InChIKey of trimethylsilyl 3-(5-oxooxolan-2-yl)propanoate?
The InChIKey is XUMFEWXFDDGLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4Si/c1-15(2,3)14-10(12)7-5-8-4-6-9(11)13-8/h8H,4-7H2,1-3H3.
What are the key properties of trimethylsilyl 3-(5-oxooxolan-2-yl)propanoate?
trimethylsilyl 3-(5-oxooxolan-2-yl)propanoate has a molecular weight of 230.34 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 3-(5-oxooxolan-2-yl)propanoate is sourced from PubChem (CID 554447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).