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

C14H25IO3Si — CID 87637853

IUPACmethyl (2E)-2-(iodomethylidene)-4-methyl-3-triethylsilyloxypent-4-enoate
SMILESC=C(C)C(O[Si](CC)(CC)CC)/C(=C\I)C(=O)OC
InChIInChI=1S/C14H25IO3Si/c1-7-19(8-2,9-3)18-13(11(4)5)12(10-15)14(16)17-6/h10,13H,4,7-9H2,1-3,5-6H3/b12-10+
InChIKeyJDKYQAXRSAGUJD-ZRDIBKRKSA-N
MW396.34 g/mol
LogP4.44
Rot. Bonds8

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

methyl (2E)-2-(iodomethylidene)-4-methyl-3-triethylsilyloxypent-4-enoate (PubChem CID 87637853) has the molecular formula C14H25IO3Si and a molecular weight of 396.34 g/mol. Its IUPAC name is methyl (2E)-2-(iodomethylidene)-4-methyl-3-triethylsilyloxypent-4-enoate.

Molecular Properties

Compound Namemethyl (2E)-2-(iodomethylidene)-4-methyl-3-triethylsilyloxypent-4-enoate
PubChem CID87637853
Molecular FormulaC14H25IO3Si
Molecular Weight396.34 g/mol
Exact Mass396.06
IUPAC Namemethyl (2E)-2-(iodomethylidene)-4-methyl-3-triethylsilyloxypent-4-enoate
SMILESC=C(C)C(O[Si](CC)(CC)CC)/C(=C\I)C(=O)OC
InChIInChI=1S/C14H25IO3Si/c1-7-19(8-2,9-3)18-13(11(4)5)12(10-15)14(16)17-6/h10,13H,4,7-9H2,1-3,5-6H3/b12-10+
InChIKeyJDKYQAXRSAGUJD-ZRDIBKRKSA-N
XLogP4.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.34
LogP ≤ 54.44
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'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-(iodomethylidene)-4-methyl-3-triethylsilyloxypent-4-enoate?
The IUPAC name of methyl (2E)-2-(iodomethylidene)-4-methyl-3-triethylsilyloxypent-4-enoate (CID 87637853) is methyl (2E)-2-(iodomethylidene)-4-methyl-3-triethylsilyloxypent-4-enoate.
What is the SMILES notation for methyl (2E)-2-(iodomethylidene)-4-methyl-3-triethylsilyloxypent-4-enoate?
The canonical SMILES for methyl (2E)-2-(iodomethylidene)-4-methyl-3-triethylsilyloxypent-4-enoate is C=C(C)C(O[Si](CC)(CC)CC)/C(=C\I)C(=O)OC.
What is the InChIKey of methyl (2E)-2-(iodomethylidene)-4-methyl-3-triethylsilyloxypent-4-enoate?
The InChIKey is JDKYQAXRSAGUJD-ZRDIBKRKSA-N. The full InChI is InChI=1S/C14H25IO3Si/c1-7-19(8-2,9-3)18-13(11(4)5)12(10-15)14(16)17-6/h10,13H,4,7-9H2,1-3,5-6H3/b12-10+.
What are the key properties of methyl (2E)-2-(iodomethylidene)-4-methyl-3-triethylsilyloxypent-4-enoate?
methyl (2E)-2-(iodomethylidene)-4-methyl-3-triethylsilyloxypent-4-enoate has a molecular weight of 396.34 g/mol, XLogP of 4.44, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-(iodomethylidene)-4-methyl-3-triethylsilyloxypent-4-enoate is sourced from PubChem (CID 87637853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).