trimethylsilyl 2-methylbut-2-enoate

C8H16O2Si — CID 521630

IUPACtrimethylsilyl 2-methylbut-2-enoate
SMILESCC=C(C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C8H16O2Si/c1-6-7(2)8(9)10-11(3,4)5/h6H,1-5H3
InChIKeyGZQWHCAXPCOMTD-UHFFFAOYSA-N
MW172.30 g/mol
LogP2.33
Rot. Bonds2

About trimethylsilyl 2-methylbut-2-enoate

trimethylsilyl 2-methylbut-2-enoate (PubChem CID 521630) has the molecular formula C8H16O2Si and a molecular weight of 172.30 g/mol. Its IUPAC name is trimethylsilyl 2-methylbut-2-enoate.

Molecular Properties

Compound Nametrimethylsilyl 2-methylbut-2-enoate
PubChem CID521630
Molecular FormulaC8H16O2Si
Molecular Weight172.30 g/mol
Exact Mass172.09
IUPAC Nametrimethylsilyl 2-methylbut-2-enoate
SMILESCC=C(C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C8H16O2Si/c1-6-7(2)8(9)10-11(3,4)5/h6H,1-5H3
InChIKeyGZQWHCAXPCOMTD-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
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'}

Analyze trimethylsilyl 2-methylbut-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-methylbut-2-enoate?
The IUPAC name of trimethylsilyl 2-methylbut-2-enoate (CID 521630) is trimethylsilyl 2-methylbut-2-enoate.
What is the SMILES notation for trimethylsilyl 2-methylbut-2-enoate?
The canonical SMILES for trimethylsilyl 2-methylbut-2-enoate is CC=C(C)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-methylbut-2-enoate?
The InChIKey is GZQWHCAXPCOMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2Si/c1-6-7(2)8(9)10-11(3,4)5/h6H,1-5H3.
What are the key properties of trimethylsilyl 2-methylbut-2-enoate?
trimethylsilyl 2-methylbut-2-enoate has a molecular weight of 172.30 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-methylbut-2-enoate is sourced from PubChem (CID 521630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).