trimethylsilyl 4-bromo-3-methylbut-2-enoate

C8H15BrO2Si — CID 71409748

IUPACtrimethylsilyl 4-bromo-3-methylbut-2-enoate
SMILESCC(=CC(=O)O[Si](C)(C)C)CBr
InChIInChI=1S/C8H15BrO2Si/c1-7(6-9)5-8(10)11-12(2,3)4/h5H,6H2,1-4H3
InChIKeyRBCGVNQQZCBCOE-UHFFFAOYSA-N
MW251.20 g/mol
LogP2.71
Rot. Bonds3

About trimethylsilyl 4-bromo-3-methylbut-2-enoate

trimethylsilyl 4-bromo-3-methylbut-2-enoate (PubChem CID 71409748) has the molecular formula C8H15BrO2Si and a molecular weight of 251.20 g/mol. Its IUPAC name is trimethylsilyl 4-bromo-3-methylbut-2-enoate.

Molecular Properties

Compound Nametrimethylsilyl 4-bromo-3-methylbut-2-enoate
PubChem CID71409748
Molecular FormulaC8H15BrO2Si
Molecular Weight251.20 g/mol
Exact Mass250.00
IUPAC Nametrimethylsilyl 4-bromo-3-methylbut-2-enoate
SMILESCC(=CC(=O)O[Si](C)(C)C)CBr
InChIInChI=1S/C8H15BrO2Si/c1-7(6-9)5-8(10)11-12(2,3)4/h5H,6H2,1-4H3
InChIKeyRBCGVNQQZCBCOE-UHFFFAOYSA-N
XLogP2.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze trimethylsilyl 4-bromo-3-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

Related Compounds

trimethylsilyl (E)-3-methylpent-2-enoate
CID 10012676
bis(trimethylsilyl) (E)-2-methylbut-2-enedioate
CID 12598819
trimethylsilyl (E)-3-trimethylsilyloxybut-2-enoate
CID 6427114
ethyl (Z)-4-bromo-3-methylbut-2-enoate
CID 10442996
(Z)-4-bromo-3-methylbut-2-enoic acid;ethene
CID 158470113
bis(trimethylsilyl) (Z)-3-trimethylsilyloxyhex-2-enedioate
CID 6421159
trimethylsilyl (2Z,4Z)-6-oxo-4-trimethylsilyloxyhepta-2,4-dienoate
CID 5374893
methyl (Z)-4-chloro-3-trimethylsilyloxybut-2-enoate
CID 86747713
trimethylsilyl hex-2-enoate
CID 598634
1-bromoprop-1-en-2-yloxy(trimethyl)silane
CID 71393586
tert-butyl (Z)-3-trimethylsilyloxybut-2-enoate
CID 87603197
methyl (Z)-6-bromo-3-methylhex-2-enoate
CID 11333510

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 4-bromo-3-methylbut-2-enoate?
The IUPAC name of trimethylsilyl 4-bromo-3-methylbut-2-enoate (CID 71409748) is trimethylsilyl 4-bromo-3-methylbut-2-enoate.
What is the SMILES notation for trimethylsilyl 4-bromo-3-methylbut-2-enoate?
The canonical SMILES for trimethylsilyl 4-bromo-3-methylbut-2-enoate is CC(=CC(=O)O[Si](C)(C)C)CBr.
What is the InChIKey of trimethylsilyl 4-bromo-3-methylbut-2-enoate?
The InChIKey is RBCGVNQQZCBCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrO2Si/c1-7(6-9)5-8(10)11-12(2,3)4/h5H,6H2,1-4H3.
What are the key properties of trimethylsilyl 4-bromo-3-methylbut-2-enoate?
trimethylsilyl 4-bromo-3-methylbut-2-enoate has a molecular weight of 251.20 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 4-bromo-3-methylbut-2-enoate is sourced from PubChem (CID 71409748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).