ethyl (2E)-2-(iodomethylidene)-4-methyl-3-triethylsilyloxypent-4-enoate

C15H27IO3Si — CID 87639194

IUPACethyl (2E)-2-(iodomethylidene)-4-methyl-3-triethylsilyloxypent-4-enoate
SMILESC=C(C)C(O[Si](CC)(CC)CC)/C(=C\I)C(=O)OCC
InChIInChI=1S/C15H27IO3Si/c1-7-18-15(17)13(11-16)14(12(5)6)19-20(8-2,9-3)10-4/h11,14H,5,7-10H2,1-4,6H3/b13-11+
InChIKeyFRXJYYCCUSFIIM-ACCUITESSA-N
MW410.37 g/mol
LogP4.83
Rot. Bonds9

About ethyl (2E)-2-(iodomethylidene)-4-methyl-3-triethylsilyloxypent-4-enoate

ethyl (2E)-2-(iodomethylidene)-4-methyl-3-triethylsilyloxypent-4-enoate (PubChem CID 87639194) has the molecular formula C15H27IO3Si and a molecular weight of 410.37 g/mol. Its IUPAC name is ethyl (2E)-2-(iodomethylidene)-4-methyl-3-triethylsilyloxypent-4-enoate.

Molecular Properties

Compound Nameethyl (2E)-2-(iodomethylidene)-4-methyl-3-triethylsilyloxypent-4-enoate
PubChem CID87639194
Molecular FormulaC15H27IO3Si
Molecular Weight410.37 g/mol
Exact Mass410.08
IUPAC Nameethyl (2E)-2-(iodomethylidene)-4-methyl-3-triethylsilyloxypent-4-enoate
SMILESC=C(C)C(O[Si](CC)(CC)CC)/C(=C\I)C(=O)OCC
InChIInChI=1S/C15H27IO3Si/c1-7-18-15(17)13(11-16)14(12(5)6)19-20(8-2,9-3)10-4/h11,14H,5,7-10H2,1-4,6H3/b13-11+
InChIKeyFRXJYYCCUSFIIM-ACCUITESSA-N
XLogP4.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.37
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl (2E)-2-(iodomethylidene)-4-methyl-3-triethylsilyloxypent-4-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 (2E)-2-(iodomethylidene)-4-methyl-3-triethylsilyloxypent-4-enoate?
The IUPAC name of ethyl (2E)-2-(iodomethylidene)-4-methyl-3-triethylsilyloxypent-4-enoate (CID 87639194) is ethyl (2E)-2-(iodomethylidene)-4-methyl-3-triethylsilyloxypent-4-enoate.
What is the SMILES notation for ethyl (2E)-2-(iodomethylidene)-4-methyl-3-triethylsilyloxypent-4-enoate?
The canonical SMILES for ethyl (2E)-2-(iodomethylidene)-4-methyl-3-triethylsilyloxypent-4-enoate is C=C(C)C(O[Si](CC)(CC)CC)/C(=C\I)C(=O)OCC.
What is the InChIKey of ethyl (2E)-2-(iodomethylidene)-4-methyl-3-triethylsilyloxypent-4-enoate?
The InChIKey is FRXJYYCCUSFIIM-ACCUITESSA-N. The full InChI is InChI=1S/C15H27IO3Si/c1-7-18-15(17)13(11-16)14(12(5)6)19-20(8-2,9-3)10-4/h11,14H,5,7-10H2,1-4,6H3/b13-11+.
What are the key properties of ethyl (2E)-2-(iodomethylidene)-4-methyl-3-triethylsilyloxypent-4-enoate?
ethyl (2E)-2-(iodomethylidene)-4-methyl-3-triethylsilyloxypent-4-enoate has a molecular weight of 410.37 g/mol, XLogP of 4.83, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-(iodomethylidene)-4-methyl-3-triethylsilyloxypent-4-enoate is sourced from PubChem (CID 87639194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).