methyl (E)-4-trimethylsilylbut-2-enoate

C8H16O2Si — CID 14120006

IUPACmethyl (E)-4-trimethylsilylbut-2-enoate
SMILESCOC(=O)/C=C/C[Si](C)(C)C
InChIInChI=1S/C8H16O2Si/c1-10-8(9)6-5-7-11(2,3)4/h5-6H,7H2,1-4H3/b6-5+
InChIKeyBPJYNOWIOGHRNG-AATRIKPKSA-N
MW172.30 g/mol
LogP2.05
Rot. Bonds3

About methyl (E)-4-trimethylsilylbut-2-enoate

methyl (E)-4-trimethylsilylbut-2-enoate (PubChem CID 14120006) has the molecular formula C8H16O2Si and a molecular weight of 172.30 g/mol. Its IUPAC name is methyl (E)-4-trimethylsilylbut-2-enoate.

Molecular Properties

Compound Namemethyl (E)-4-trimethylsilylbut-2-enoate
PubChem CID14120006
Molecular FormulaC8H16O2Si
Molecular Weight172.30 g/mol
Exact Mass172.09
IUPAC Namemethyl (E)-4-trimethylsilylbut-2-enoate
SMILESCOC(=O)/C=C/C[Si](C)(C)C
InChIInChI=1S/C8H16O2Si/c1-10-8(9)6-5-7-11(2,3)4/h5-6H,7H2,1-4H3/b6-5+
InChIKeyBPJYNOWIOGHRNG-AATRIKPKSA-N
XLogP2.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 52.05
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 methyl (E)-4-trimethylsilylbut-2-enoate?
The IUPAC name of methyl (E)-4-trimethylsilylbut-2-enoate (CID 14120006) is methyl (E)-4-trimethylsilylbut-2-enoate.
What is the SMILES notation for methyl (E)-4-trimethylsilylbut-2-enoate?
The canonical SMILES for methyl (E)-4-trimethylsilylbut-2-enoate is COC(=O)/C=C/C[Si](C)(C)C.
What is the InChIKey of methyl (E)-4-trimethylsilylbut-2-enoate?
The InChIKey is BPJYNOWIOGHRNG-AATRIKPKSA-N. The full InChI is InChI=1S/C8H16O2Si/c1-10-8(9)6-5-7-11(2,3)4/h5-6H,7H2,1-4H3/b6-5+.
What are the key properties of methyl (E)-4-trimethylsilylbut-2-enoate?
methyl (E)-4-trimethylsilylbut-2-enoate has a molecular weight of 172.30 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-4-trimethylsilylbut-2-enoate is sourced from PubChem (CID 14120006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).