4-[2-(2-trimethylsilylethynyl)-1,3-dioxolan-2-yl]oxolan-2-one

C12H18O4Si — CID 11118620

IUPAC4-[2-(2-trimethylsilylethynyl)-1,3-dioxolan-2-yl]oxolan-2-one
SMILESC[Si](C)(C)C#CC1(C2COC(=O)C2)OCCO1
InChIInChI=1S/C12H18O4Si/c1-17(2,3)7-4-12(15-5-6-16-12)10-8-11(13)14-9-10/h10H,5-6,8-9H2,1-3H3
InChIKeyWVVJUHKOVMBWAQ-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.17
Rot. Bonds1

About 4-[2-(2-trimethylsilylethynyl)-1,3-dioxolan-2-yl]oxolan-2-one

4-[2-(2-trimethylsilylethynyl)-1,3-dioxolan-2-yl]oxolan-2-one (PubChem CID 11118620) has the molecular formula C12H18O4Si and a molecular weight of 254.36 g/mol. Its IUPAC name is 4-[2-(2-trimethylsilylethynyl)-1,3-dioxolan-2-yl]oxolan-2-one.

Molecular Properties

Compound Name4-[2-(2-trimethylsilylethynyl)-1,3-dioxolan-2-yl]oxolan-2-one
PubChem CID11118620
Molecular FormulaC12H18O4Si
Molecular Weight254.36 g/mol
Exact Mass254.10
IUPAC Name4-[2-(2-trimethylsilylethynyl)-1,3-dioxolan-2-yl]oxolan-2-one
SMILESC[Si](C)(C)C#CC1(C2COC(=O)C2)OCCO1
InChIInChI=1S/C12H18O4Si/c1-17(2,3)7-4-12(15-5-6-16-12)10-8-11(13)14-9-10/h10H,5-6,8-9H2,1-3H3
InChIKeyWVVJUHKOVMBWAQ-UHFFFAOYSA-N
XLogP1.17
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-trimethylsilylethynyl)-1,3-dioxolan-2-yl]oxolan-2-one?
The IUPAC name of 4-[2-(2-trimethylsilylethynyl)-1,3-dioxolan-2-yl]oxolan-2-one (CID 11118620) is 4-[2-(2-trimethylsilylethynyl)-1,3-dioxolan-2-yl]oxolan-2-one.
What is the SMILES notation for 4-[2-(2-trimethylsilylethynyl)-1,3-dioxolan-2-yl]oxolan-2-one?
The canonical SMILES for 4-[2-(2-trimethylsilylethynyl)-1,3-dioxolan-2-yl]oxolan-2-one is C[Si](C)(C)C#CC1(C2COC(=O)C2)OCCO1.
What is the InChIKey of 4-[2-(2-trimethylsilylethynyl)-1,3-dioxolan-2-yl]oxolan-2-one?
The InChIKey is WVVJUHKOVMBWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4Si/c1-17(2,3)7-4-12(15-5-6-16-12)10-8-11(13)14-9-10/h10H,5-6,8-9H2,1-3H3.
What are the key properties of 4-[2-(2-trimethylsilylethynyl)-1,3-dioxolan-2-yl]oxolan-2-one?
4-[2-(2-trimethylsilylethynyl)-1,3-dioxolan-2-yl]oxolan-2-one has a molecular weight of 254.36 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-trimethylsilylethynyl)-1,3-dioxolan-2-yl]oxolan-2-one is sourced from PubChem (CID 11118620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).