methyl (Z)-3-trimethylsilylbut-2-enoate

C8H16O2Si — CID 175176259

IUPACmethyl (Z)-3-trimethylsilylbut-2-enoate
SMILESCOC(=O)/C=C(/C)[Si](C)(C)C
InChIInChI=1S/C8H16O2Si/c1-7(11(3,4)5)6-8(9)10-2/h6H,1-5H3/b7-6-
InChIKeyFEHZAXMEMYLIGT-SREVYHEPSA-N
MW172.30 g/mol
LogP1.98
Rot. Bonds2

About methyl (Z)-3-trimethylsilylbut-2-enoate

methyl (Z)-3-trimethylsilylbut-2-enoate (PubChem CID 175176259) has the molecular formula C8H16O2Si and a molecular weight of 172.30 g/mol. Its IUPAC name is methyl (Z)-3-trimethylsilylbut-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-trimethylsilylbut-2-enoate
PubChem CID175176259
Molecular FormulaC8H16O2Si
Molecular Weight172.30 g/mol
Exact Mass172.09
IUPAC Namemethyl (Z)-3-trimethylsilylbut-2-enoate
SMILESCOC(=O)/C=C(/C)[Si](C)(C)C
InChIInChI=1S/C8H16O2Si/c1-7(11(3,4)5)6-8(9)10-2/h6H,1-5H3/b7-6-
InChIKeyFEHZAXMEMYLIGT-SREVYHEPSA-N
XLogP1.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 51.98
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 (Z)-3-trimethylsilylbut-2-enoate?
The IUPAC name of methyl (Z)-3-trimethylsilylbut-2-enoate (CID 175176259) is methyl (Z)-3-trimethylsilylbut-2-enoate.
What is the SMILES notation for methyl (Z)-3-trimethylsilylbut-2-enoate?
The canonical SMILES for methyl (Z)-3-trimethylsilylbut-2-enoate is COC(=O)/C=C(/C)[Si](C)(C)C.
What is the InChIKey of methyl (Z)-3-trimethylsilylbut-2-enoate?
The InChIKey is FEHZAXMEMYLIGT-SREVYHEPSA-N. The full InChI is InChI=1S/C8H16O2Si/c1-7(11(3,4)5)6-8(9)10-2/h6H,1-5H3/b7-6-.
What are the key properties of methyl (Z)-3-trimethylsilylbut-2-enoate?
methyl (Z)-3-trimethylsilylbut-2-enoate has a molecular weight of 172.30 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-trimethylsilylbut-2-enoate is sourced from PubChem (CID 175176259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).