methyl 2-(iodomethyl)-5-methyl-2,3-dihydrofuran-4-carboxylate

C8H11IO3 — CID 11346566

IUPACmethyl 2-(iodomethyl)-5-methyl-2,3-dihydrofuran-4-carboxylate
SMILESCOC(=O)C1=C(C)OC(CI)C1
InChIInChI=1S/C8H11IO3/c1-5-7(8(10)11-2)3-6(4-9)12-5/h6H,3-4H2,1-2H3
InChIKeyUXXASVLAMOKINZ-UHFFFAOYSA-N
MW282.08 g/mol
LogP1.66
Rot. Bonds2

About methyl 2-(iodomethyl)-5-methyl-2,3-dihydrofuran-4-carboxylate

methyl 2-(iodomethyl)-5-methyl-2,3-dihydrofuran-4-carboxylate (PubChem CID 11346566) has the molecular formula C8H11IO3 and a molecular weight of 282.08 g/mol. Its IUPAC name is methyl 2-(iodomethyl)-5-methyl-2,3-dihydrofuran-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(iodomethyl)-5-methyl-2,3-dihydrofuran-4-carboxylate
PubChem CID11346566
Molecular FormulaC8H11IO3
Molecular Weight282.08 g/mol
Exact Mass281.98
IUPAC Namemethyl 2-(iodomethyl)-5-methyl-2,3-dihydrofuran-4-carboxylate
SMILESCOC(=O)C1=C(C)OC(CI)C1
InChIInChI=1S/C8H11IO3/c1-5-7(8(10)11-2)3-6(4-9)12-5/h6H,3-4H2,1-2H3
InChIKeyUXXASVLAMOKINZ-UHFFFAOYSA-N
XLogP1.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.08
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 2-(iodomethyl)-5-methyl-2,3-dihydrofuran-4-carboxylate 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 methyl 2-(iodomethyl)-5-methyl-2,3-dihydrofuran-4-carboxylate?
The IUPAC name of methyl 2-(iodomethyl)-5-methyl-2,3-dihydrofuran-4-carboxylate (CID 11346566) is methyl 2-(iodomethyl)-5-methyl-2,3-dihydrofuran-4-carboxylate.
What is the SMILES notation for methyl 2-(iodomethyl)-5-methyl-2,3-dihydrofuran-4-carboxylate?
The canonical SMILES for methyl 2-(iodomethyl)-5-methyl-2,3-dihydrofuran-4-carboxylate is COC(=O)C1=C(C)OC(CI)C1.
What is the InChIKey of methyl 2-(iodomethyl)-5-methyl-2,3-dihydrofuran-4-carboxylate?
The InChIKey is UXXASVLAMOKINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IO3/c1-5-7(8(10)11-2)3-6(4-9)12-5/h6H,3-4H2,1-2H3.
What are the key properties of methyl 2-(iodomethyl)-5-methyl-2,3-dihydrofuran-4-carboxylate?
methyl 2-(iodomethyl)-5-methyl-2,3-dihydrofuran-4-carboxylate has a molecular weight of 282.08 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(iodomethyl)-5-methyl-2,3-dihydrofuran-4-carboxylate is sourced from PubChem (CID 11346566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).