ethyl (E)-3-[dimethyl(phenyl)silyl]but-2-enoate

C14H20O2Si — CID 102185799

IUPACethyl (E)-3-[dimethyl(phenyl)silyl]but-2-enoate
SMILESCCOC(=O)/C=C(\C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C14H20O2Si/c1-5-16-14(15)11-12(2)17(3,4)13-9-7-6-8-10-13/h6-11H,5H2,1-4H3/b12-11+
InChIKeyNKVMUFIGQBZKGJ-VAWYXSNFSA-N
MW248.40 g/mol
LogP2.65
Rot. Bonds4

About ethyl (E)-3-[dimethyl(phenyl)silyl]but-2-enoate

ethyl (E)-3-[dimethyl(phenyl)silyl]but-2-enoate (PubChem CID 102185799) has the molecular formula C14H20O2Si and a molecular weight of 248.40 g/mol. Its IUPAC name is ethyl (E)-3-[dimethyl(phenyl)silyl]but-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[dimethyl(phenyl)silyl]but-2-enoate
PubChem CID102185799
Molecular FormulaC14H20O2Si
Molecular Weight248.40 g/mol
Exact Mass248.12
IUPAC Nameethyl (E)-3-[dimethyl(phenyl)silyl]but-2-enoate
SMILESCCOC(=O)/C=C(\C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C14H20O2Si/c1-5-16-14(15)11-12(2)17(3,4)13-9-7-6-8-10-13/h6-11H,5H2,1-4H3/b12-11+
InChIKeyNKVMUFIGQBZKGJ-VAWYXSNFSA-N
XLogP2.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.40
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 ethyl (E)-3-[dimethyl(phenyl)silyl]but-2-enoate?
The IUPAC name of ethyl (E)-3-[dimethyl(phenyl)silyl]but-2-enoate (CID 102185799) is ethyl (E)-3-[dimethyl(phenyl)silyl]but-2-enoate.
What is the SMILES notation for ethyl (E)-3-[dimethyl(phenyl)silyl]but-2-enoate?
The canonical SMILES for ethyl (E)-3-[dimethyl(phenyl)silyl]but-2-enoate is CCOC(=O)/C=C(\C)[Si](C)(C)c1ccccc1.
What is the InChIKey of ethyl (E)-3-[dimethyl(phenyl)silyl]but-2-enoate?
The InChIKey is NKVMUFIGQBZKGJ-VAWYXSNFSA-N. The full InChI is InChI=1S/C14H20O2Si/c1-5-16-14(15)11-12(2)17(3,4)13-9-7-6-8-10-13/h6-11H,5H2,1-4H3/b12-11+.
What are the key properties of ethyl (E)-3-[dimethyl(phenyl)silyl]but-2-enoate?
ethyl (E)-3-[dimethyl(phenyl)silyl]but-2-enoate has a molecular weight of 248.40 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[dimethyl(phenyl)silyl]but-2-enoate is sourced from PubChem (CID 102185799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).