methyl (2E)-2-(5-methyl-2-oxooxolan-3-ylidene)-2-trimethylsilylacetate

C11H18O4Si — CID 14791699

IUPACmethyl (2E)-2-(5-methyl-2-oxooxolan-3-ylidene)-2-trimethylsilylacetate
SMILESCOC(=O)/C(=C1/CC(C)OC1=O)[Si](C)(C)C
InChIInChI=1S/C11H18O4Si/c1-7-6-8(10(12)15-7)9(11(13)14-2)16(3,4)5/h7H,6H2,1-5H3/b9-8+
InChIKeyOXBFFMWYIGHMGT-CMDGGOBGSA-N
MW242.35 g/mol
LogP1.67
Rot. Bonds2

About methyl (2E)-2-(5-methyl-2-oxooxolan-3-ylidene)-2-trimethylsilylacetate

methyl (2E)-2-(5-methyl-2-oxooxolan-3-ylidene)-2-trimethylsilylacetate (PubChem CID 14791699) has the molecular formula C11H18O4Si and a molecular weight of 242.35 g/mol. Its IUPAC name is methyl (2E)-2-(5-methyl-2-oxooxolan-3-ylidene)-2-trimethylsilylacetate.

Molecular Properties

Compound Namemethyl (2E)-2-(5-methyl-2-oxooxolan-3-ylidene)-2-trimethylsilylacetate
PubChem CID14791699
Molecular FormulaC11H18O4Si
Molecular Weight242.35 g/mol
Exact Mass242.10
IUPAC Namemethyl (2E)-2-(5-methyl-2-oxooxolan-3-ylidene)-2-trimethylsilylacetate
SMILESCOC(=O)/C(=C1/CC(C)OC1=O)[Si](C)(C)C
InChIInChI=1S/C11H18O4Si/c1-7-6-8(10(12)15-7)9(11(13)14-2)16(3,4)5/h7H,6H2,1-5H3/b9-8+
InChIKeyOXBFFMWYIGHMGT-CMDGGOBGSA-N
XLogP1.67
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 methyl (2E)-2-(5-methyl-2-oxooxolan-3-ylidene)-2-trimethylsilylacetate?
The IUPAC name of methyl (2E)-2-(5-methyl-2-oxooxolan-3-ylidene)-2-trimethylsilylacetate (CID 14791699) is methyl (2E)-2-(5-methyl-2-oxooxolan-3-ylidene)-2-trimethylsilylacetate.
What is the SMILES notation for methyl (2E)-2-(5-methyl-2-oxooxolan-3-ylidene)-2-trimethylsilylacetate?
The canonical SMILES for methyl (2E)-2-(5-methyl-2-oxooxolan-3-ylidene)-2-trimethylsilylacetate is COC(=O)/C(=C1/CC(C)OC1=O)[Si](C)(C)C.
What is the InChIKey of methyl (2E)-2-(5-methyl-2-oxooxolan-3-ylidene)-2-trimethylsilylacetate?
The InChIKey is OXBFFMWYIGHMGT-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H18O4Si/c1-7-6-8(10(12)15-7)9(11(13)14-2)16(3,4)5/h7H,6H2,1-5H3/b9-8+.
What are the key properties of methyl (2E)-2-(5-methyl-2-oxooxolan-3-ylidene)-2-trimethylsilylacetate?
methyl (2E)-2-(5-methyl-2-oxooxolan-3-ylidene)-2-trimethylsilylacetate has a molecular weight of 242.35 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-(5-methyl-2-oxooxolan-3-ylidene)-2-trimethylsilylacetate is sourced from PubChem (CID 14791699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).