3-[4-[tert-butyl(dimethyl)silyl]oxybut-1-en-2-yl]pyrrolidin-2-one

C14H27NO2Si — CID 89421667

IUPAC3-[4-[tert-butyl(dimethyl)silyl]oxybut-1-en-2-yl]pyrrolidin-2-one
SMILESC=C(CCO[Si](C)(C)C(C)(C)C)C1CCNC1=O
InChIInChI=1S/C14H27NO2Si/c1-11(12-7-9-15-13(12)16)8-10-17-18(5,6)14(2,3)4/h12H,1,7-10H2,2-6H3,(H,15,16)
InChIKeyLLBHACOZCLFPCS-UHFFFAOYSA-N
MW269.46 g/mol
LogP3.09
Rot. Bonds5

About 3-[4-[tert-butyl(dimethyl)silyl]oxybut-1-en-2-yl]pyrrolidin-2-one

3-[4-[tert-butyl(dimethyl)silyl]oxybut-1-en-2-yl]pyrrolidin-2-one (PubChem CID 89421667) has the molecular formula C14H27NO2Si and a molecular weight of 269.46 g/mol. Its IUPAC name is 3-[4-[tert-butyl(dimethyl)silyl]oxybut-1-en-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-[tert-butyl(dimethyl)silyl]oxybut-1-en-2-yl]pyrrolidin-2-one
PubChem CID89421667
Molecular FormulaC14H27NO2Si
Molecular Weight269.46 g/mol
Exact Mass269.18
IUPAC Name3-[4-[tert-butyl(dimethyl)silyl]oxybut-1-en-2-yl]pyrrolidin-2-one
SMILESC=C(CCO[Si](C)(C)C(C)(C)C)C1CCNC1=O
InChIInChI=1S/C14H27NO2Si/c1-11(12-7-9-15-13(12)16)8-10-17-18(5,6)14(2,3)4/h12H,1,7-10H2,2-6H3,(H,15,16)
InChIKeyLLBHACOZCLFPCS-UHFFFAOYSA-N
XLogP3.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[tert-butyl(dimethyl)silyl]oxybut-1-en-2-yl]pyrrolidin-2-one?
The IUPAC name of 3-[4-[tert-butyl(dimethyl)silyl]oxybut-1-en-2-yl]pyrrolidin-2-one (CID 89421667) is 3-[4-[tert-butyl(dimethyl)silyl]oxybut-1-en-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 3-[4-[tert-butyl(dimethyl)silyl]oxybut-1-en-2-yl]pyrrolidin-2-one?
The canonical SMILES for 3-[4-[tert-butyl(dimethyl)silyl]oxybut-1-en-2-yl]pyrrolidin-2-one is C=C(CCO[Si](C)(C)C(C)(C)C)C1CCNC1=O.
What is the InChIKey of 3-[4-[tert-butyl(dimethyl)silyl]oxybut-1-en-2-yl]pyrrolidin-2-one?
The InChIKey is LLBHACOZCLFPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2Si/c1-11(12-7-9-15-13(12)16)8-10-17-18(5,6)14(2,3)4/h12H,1,7-10H2,2-6H3,(H,15,16).
What are the key properties of 3-[4-[tert-butyl(dimethyl)silyl]oxybut-1-en-2-yl]pyrrolidin-2-one?
3-[4-[tert-butyl(dimethyl)silyl]oxybut-1-en-2-yl]pyrrolidin-2-one has a molecular weight of 269.46 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[tert-butyl(dimethyl)silyl]oxybut-1-en-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 89421667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).