ethyl 3-ethoxy-2-methyl-3-trimethylsilyloxyprop-2-enoate

C11H22O4Si — CID 54410387

IUPACethyl 3-ethoxy-2-methyl-3-trimethylsilyloxyprop-2-enoate
SMILESCCOC(=O)C(C)=C(OCC)O[Si](C)(C)C
InChIInChI=1S/C11H22O4Si/c1-7-13-10(12)9(3)11(14-8-2)15-16(4,5)6/h7-8H2,1-6H3
InChIKeyVTSDBNQADJVPRM-UHFFFAOYSA-N
MW246.38 g/mol
LogP2.67
Rot. Bonds6

About ethyl 3-ethoxy-2-methyl-3-trimethylsilyloxyprop-2-enoate

ethyl 3-ethoxy-2-methyl-3-trimethylsilyloxyprop-2-enoate (PubChem CID 54410387) has the molecular formula C11H22O4Si and a molecular weight of 246.38 g/mol. Its IUPAC name is ethyl 3-ethoxy-2-methyl-3-trimethylsilyloxyprop-2-enoate.

Molecular Properties

Compound Nameethyl 3-ethoxy-2-methyl-3-trimethylsilyloxyprop-2-enoate
PubChem CID54410387
Molecular FormulaC11H22O4Si
Molecular Weight246.38 g/mol
Exact Mass246.13
IUPAC Nameethyl 3-ethoxy-2-methyl-3-trimethylsilyloxyprop-2-enoate
SMILESCCOC(=O)C(C)=C(OCC)O[Si](C)(C)C
InChIInChI=1S/C11H22O4Si/c1-7-13-10(12)9(3)11(14-8-2)15-16(4,5)6/h7-8H2,1-6H3
InChIKeyVTSDBNQADJVPRM-UHFFFAOYSA-N
XLogP2.67
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 ethyl 3-ethoxy-2-methyl-3-trimethylsilyloxyprop-2-enoate?
The IUPAC name of ethyl 3-ethoxy-2-methyl-3-trimethylsilyloxyprop-2-enoate (CID 54410387) is ethyl 3-ethoxy-2-methyl-3-trimethylsilyloxyprop-2-enoate.
What is the SMILES notation for ethyl 3-ethoxy-2-methyl-3-trimethylsilyloxyprop-2-enoate?
The canonical SMILES for ethyl 3-ethoxy-2-methyl-3-trimethylsilyloxyprop-2-enoate is CCOC(=O)C(C)=C(OCC)O[Si](C)(C)C.
What is the InChIKey of ethyl 3-ethoxy-2-methyl-3-trimethylsilyloxyprop-2-enoate?
The InChIKey is VTSDBNQADJVPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4Si/c1-7-13-10(12)9(3)11(14-8-2)15-16(4,5)6/h7-8H2,1-6H3.
What are the key properties of ethyl 3-ethoxy-2-methyl-3-trimethylsilyloxyprop-2-enoate?
ethyl 3-ethoxy-2-methyl-3-trimethylsilyloxyprop-2-enoate has a molecular weight of 246.38 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethoxy-2-methyl-3-trimethylsilyloxyprop-2-enoate is sourced from PubChem (CID 54410387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).