dimethylsilyl 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-ylidene)-3,3-dimethylbutanoate

C13H22O5Si — CID 173199158

IUPACdimethylsilyl 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-ylidene)-3,3-dimethylbutanoate
SMILESC[SiH](C)OC(=O)C(=C1OC(C)(C)OC1=O)C(C)(C)C
InChIInChI=1S/C13H22O5Si/c1-12(2,3)8(10(14)18-19(6)7)9-11(15)17-13(4,5)16-9/h19H,1-7H3
InChIKeyWGRFJUARNVWZGL-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.12
Rot. Bonds2

About dimethylsilyl 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-ylidene)-3,3-dimethylbutanoate

dimethylsilyl 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-ylidene)-3,3-dimethylbutanoate (PubChem CID 173199158) has the molecular formula C13H22O5Si and a molecular weight of 286.40 g/mol. Its IUPAC name is dimethylsilyl 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-ylidene)-3,3-dimethylbutanoate.

Molecular Properties

Compound Namedimethylsilyl 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-ylidene)-3,3-dimethylbutanoate
PubChem CID173199158
Molecular FormulaC13H22O5Si
Molecular Weight286.40 g/mol
Exact Mass286.12
IUPAC Namedimethylsilyl 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-ylidene)-3,3-dimethylbutanoate
SMILESC[SiH](C)OC(=O)C(=C1OC(C)(C)OC1=O)C(C)(C)C
InChIInChI=1S/C13H22O5Si/c1-12(2,3)8(10(14)18-19(6)7)9-11(15)17-13(4,5)16-9/h19H,1-7H3
InChIKeyWGRFJUARNVWZGL-UHFFFAOYSA-N
XLogP2.12
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethylsilyl 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-ylidene)-3,3-dimethylbutanoate?
The IUPAC name of dimethylsilyl 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-ylidene)-3,3-dimethylbutanoate (CID 173199158) is dimethylsilyl 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-ylidene)-3,3-dimethylbutanoate.
What is the SMILES notation for dimethylsilyl 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-ylidene)-3,3-dimethylbutanoate?
The canonical SMILES for dimethylsilyl 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-ylidene)-3,3-dimethylbutanoate is C[SiH](C)OC(=O)C(=C1OC(C)(C)OC1=O)C(C)(C)C.
What is the InChIKey of dimethylsilyl 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-ylidene)-3,3-dimethylbutanoate?
The InChIKey is WGRFJUARNVWZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O5Si/c1-12(2,3)8(10(14)18-19(6)7)9-11(15)17-13(4,5)16-9/h19H,1-7H3.
What are the key properties of dimethylsilyl 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-ylidene)-3,3-dimethylbutanoate?
dimethylsilyl 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-ylidene)-3,3-dimethylbutanoate has a molecular weight of 286.40 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilyl 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-ylidene)-3,3-dimethylbutanoate is sourced from PubChem (CID 173199158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).