3-[3-[ditert-butyl(methyl)silyl]propyl]oxolane-2,5-dione

C16H30O3Si — CID 20828008

IUPAC3-[3-[ditert-butyl(methyl)silyl]propyl]oxolane-2,5-dione
SMILESCC(C)(C)[Si](C)(CCCC1CC(=O)OC1=O)C(C)(C)C
InChIInChI=1S/C16H30O3Si/c1-15(2,3)20(7,16(4,5)6)10-8-9-12-11-13(17)19-14(12)18/h12H,8-11H2,1-7H3
InChIKeyCUJFPRKFLMWVQA-UHFFFAOYSA-N
MW298.50 g/mol
LogP4.54
Rot. Bonds4

About 3-[3-[ditert-butyl(methyl)silyl]propyl]oxolane-2,5-dione

3-[3-[ditert-butyl(methyl)silyl]propyl]oxolane-2,5-dione (PubChem CID 20828008) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is 3-[3-[ditert-butyl(methyl)silyl]propyl]oxolane-2,5-dione.

Molecular Properties

Compound Name3-[3-[ditert-butyl(methyl)silyl]propyl]oxolane-2,5-dione
PubChem CID20828008
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Name3-[3-[ditert-butyl(methyl)silyl]propyl]oxolane-2,5-dione
SMILESCC(C)(C)[Si](C)(CCCC1CC(=O)OC1=O)C(C)(C)C
InChIInChI=1S/C16H30O3Si/c1-15(2,3)20(7,16(4,5)6)10-8-9-12-11-13(17)19-14(12)18/h12H,8-11H2,1-7H3
InChIKeyCUJFPRKFLMWVQA-UHFFFAOYSA-N
XLogP4.54
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[ditert-butyl(methyl)silyl]propyl]oxolane-2,5-dione?
The IUPAC name of 3-[3-[ditert-butyl(methyl)silyl]propyl]oxolane-2,5-dione (CID 20828008) is 3-[3-[ditert-butyl(methyl)silyl]propyl]oxolane-2,5-dione.
What is the SMILES notation for 3-[3-[ditert-butyl(methyl)silyl]propyl]oxolane-2,5-dione?
The canonical SMILES for 3-[3-[ditert-butyl(methyl)silyl]propyl]oxolane-2,5-dione is CC(C)(C)[Si](C)(CCCC1CC(=O)OC1=O)C(C)(C)C.
What is the InChIKey of 3-[3-[ditert-butyl(methyl)silyl]propyl]oxolane-2,5-dione?
The InChIKey is CUJFPRKFLMWVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-15(2,3)20(7,16(4,5)6)10-8-9-12-11-13(17)19-14(12)18/h12H,8-11H2,1-7H3.
What are the key properties of 3-[3-[ditert-butyl(methyl)silyl]propyl]oxolane-2,5-dione?
3-[3-[ditert-butyl(methyl)silyl]propyl]oxolane-2,5-dione has a molecular weight of 298.50 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[ditert-butyl(methyl)silyl]propyl]oxolane-2,5-dione is sourced from PubChem (CID 20828008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).