5-[1-[tert-butyl(dimethyl)silyl]ethenyl]oxolan-2-one

C12H22O2Si — CID 177256892

IUPAC5-[1-[tert-butyl(dimethyl)silyl]ethenyl]oxolan-2-one
SMILESC=C(C1CCC(=O)O1)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H22O2Si/c1-9(10-7-8-11(13)14-10)15(5,6)12(2,3)4/h10H,1,7-8H2,2-6H3
InChIKeyZLAJLJHAOMSLFN-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.30
Rot. Bonds2

About 5-[1-[tert-butyl(dimethyl)silyl]ethenyl]oxolan-2-one

5-[1-[tert-butyl(dimethyl)silyl]ethenyl]oxolan-2-one (PubChem CID 177256892) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is 5-[1-[tert-butyl(dimethyl)silyl]ethenyl]oxolan-2-one.

Molecular Properties

Compound Name5-[1-[tert-butyl(dimethyl)silyl]ethenyl]oxolan-2-one
PubChem CID177256892
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Name5-[1-[tert-butyl(dimethyl)silyl]ethenyl]oxolan-2-one
SMILESC=C(C1CCC(=O)O1)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H22O2Si/c1-9(10-7-8-11(13)14-10)15(5,6)12(2,3)4/h10H,1,7-8H2,2-6H3
InChIKeyZLAJLJHAOMSLFN-UHFFFAOYSA-N
XLogP3.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-[1-[tert-butyl(dimethyl)silyl]ethenyl]oxolan-2-one?
The IUPAC name of 5-[1-[tert-butyl(dimethyl)silyl]ethenyl]oxolan-2-one (CID 177256892) is 5-[1-[tert-butyl(dimethyl)silyl]ethenyl]oxolan-2-one.
What is the SMILES notation for 5-[1-[tert-butyl(dimethyl)silyl]ethenyl]oxolan-2-one?
The canonical SMILES for 5-[1-[tert-butyl(dimethyl)silyl]ethenyl]oxolan-2-one is C=C(C1CCC(=O)O1)[Si](C)(C)C(C)(C)C.
What is the InChIKey of 5-[1-[tert-butyl(dimethyl)silyl]ethenyl]oxolan-2-one?
The InChIKey is ZLAJLJHAOMSLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-9(10-7-8-11(13)14-10)15(5,6)12(2,3)4/h10H,1,7-8H2,2-6H3.
What are the key properties of 5-[1-[tert-butyl(dimethyl)silyl]ethenyl]oxolan-2-one?
5-[1-[tert-butyl(dimethyl)silyl]ethenyl]oxolan-2-one has a molecular weight of 226.39 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[tert-butyl(dimethyl)silyl]ethenyl]oxolan-2-one is sourced from PubChem (CID 177256892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).