ethyl (E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoate

C12H24O3Si — CID 10490523

IUPACethyl (E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoate
SMILESCCOC(=O)/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-7-14-11(13)9-8-10-15-16(5,6)12(2,3)4/h8-9H,7,10H2,1-6H3/b9-8+
InChIKeyBVEFNOUDBPFBQH-CMDGGOBGSA-N
MW244.41 g/mol
LogP3.13
Rot. Bonds5

About ethyl (E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoate

ethyl (E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoate (PubChem CID 10490523) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is ethyl (E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoate.

Molecular Properties

Compound Nameethyl (E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoate
PubChem CID10490523
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Nameethyl (E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoate
SMILESCCOC(=O)/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-7-14-11(13)9-8-10-15-16(5,6)12(2,3)4/h8-9H,7,10H2,1-6H3/b9-8+
InChIKeyBVEFNOUDBPFBQH-CMDGGOBGSA-N
XLogP3.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl (E)-4-[tert-butyl(dimethyl)silyl]oxybut-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 ethyl (E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoate?
The IUPAC name of ethyl (E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoate (CID 10490523) is ethyl (E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoate.
What is the SMILES notation for ethyl (E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoate?
The canonical SMILES for ethyl (E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoate is CCOC(=O)/C=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoate?
The InChIKey is BVEFNOUDBPFBQH-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-7-14-11(13)9-8-10-15-16(5,6)12(2,3)4/h8-9H,7,10H2,1-6H3/b9-8+.
What are the key properties of ethyl (E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoate?
ethyl (E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoate has a molecular weight of 244.41 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoate is sourced from PubChem (CID 10490523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).