methyl (E)-3-morpholin-4-yl-4-trimethylsilylbut-2-enoate

C12H23NO3Si — CID 12785588

IUPACmethyl (E)-3-morpholin-4-yl-4-trimethylsilylbut-2-enoate
SMILESCOC(=O)/C=C(\C[Si](C)(C)C)N1CCOCC1
InChIInChI=1S/C12H23NO3Si/c1-15-12(14)9-11(10-17(2,3)4)13-5-7-16-8-6-13/h9H,5-8,10H2,1-4H3/b11-9+
InChIKeyBZWIHFOEWJGQAM-PKNBQFBNSA-N
MW257.41 g/mol
LogP1.71
Rot. Bonds4

About methyl (E)-3-morpholin-4-yl-4-trimethylsilylbut-2-enoate

methyl (E)-3-morpholin-4-yl-4-trimethylsilylbut-2-enoate (PubChem CID 12785588) has the molecular formula C12H23NO3Si and a molecular weight of 257.41 g/mol. Its IUPAC name is methyl (E)-3-morpholin-4-yl-4-trimethylsilylbut-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-morpholin-4-yl-4-trimethylsilylbut-2-enoate
PubChem CID12785588
Molecular FormulaC12H23NO3Si
Molecular Weight257.41 g/mol
Exact Mass257.14
IUPAC Namemethyl (E)-3-morpholin-4-yl-4-trimethylsilylbut-2-enoate
SMILESCOC(=O)/C=C(\C[Si](C)(C)C)N1CCOCC1
InChIInChI=1S/C12H23NO3Si/c1-15-12(14)9-11(10-17(2,3)4)13-5-7-16-8-6-13/h9H,5-8,10H2,1-4H3/b11-9+
InChIKeyBZWIHFOEWJGQAM-PKNBQFBNSA-N
XLogP1.71
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.41
LogP ≤ 51.71
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 (E)-3-morpholin-4-yl-4-trimethylsilylbut-2-enoate?
The IUPAC name of methyl (E)-3-morpholin-4-yl-4-trimethylsilylbut-2-enoate (CID 12785588) is methyl (E)-3-morpholin-4-yl-4-trimethylsilylbut-2-enoate.
What is the SMILES notation for methyl (E)-3-morpholin-4-yl-4-trimethylsilylbut-2-enoate?
The canonical SMILES for methyl (E)-3-morpholin-4-yl-4-trimethylsilylbut-2-enoate is COC(=O)/C=C(\C[Si](C)(C)C)N1CCOCC1.
What is the InChIKey of methyl (E)-3-morpholin-4-yl-4-trimethylsilylbut-2-enoate?
The InChIKey is BZWIHFOEWJGQAM-PKNBQFBNSA-N. The full InChI is InChI=1S/C12H23NO3Si/c1-15-12(14)9-11(10-17(2,3)4)13-5-7-16-8-6-13/h9H,5-8,10H2,1-4H3/b11-9+.
What are the key properties of methyl (E)-3-morpholin-4-yl-4-trimethylsilylbut-2-enoate?
methyl (E)-3-morpholin-4-yl-4-trimethylsilylbut-2-enoate has a molecular weight of 257.41 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-morpholin-4-yl-4-trimethylsilylbut-2-enoate is sourced from PubChem (CID 12785588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).