(2,5-dimethyl-4-oxofuran-3-yl) methyliodanuidyl carbonate

C8H10IO5- — CID 163522723

IUPAC(2,5-dimethyl-4-oxofuran-3-yl) methyliodanuidyl carbonate
SMILESC[I-]OC(=O)OC1=C(C)OC(C)C1=O
InChIInChI=1S/C8H10IO5/c1-4-6(10)7(5(2)12-4)13-8(11)14-9-3/h4H,1-3H3/q-1
InChIKeyGLWBZQSEBZASIA-UHFFFAOYSA-N
MW313.07 g/mol
LogP-2.01
Rot. Bonds2

About (2,5-dimethyl-4-oxofuran-3-yl) methyliodanuidyl carbonate

(2,5-dimethyl-4-oxofuran-3-yl) methyliodanuidyl carbonate (PubChem CID 163522723) has the molecular formula C8H10IO5- and a molecular weight of 313.07 g/mol. Its IUPAC name is (2,5-dimethyl-4-oxofuran-3-yl) methyliodanuidyl carbonate.

Molecular Properties

Compound Name(2,5-dimethyl-4-oxofuran-3-yl) methyliodanuidyl carbonate
PubChem CID163522723
Molecular FormulaC8H10IO5-
Molecular Weight313.07 g/mol
Exact Mass312.96
IUPAC Name(2,5-dimethyl-4-oxofuran-3-yl) methyliodanuidyl carbonate
SMILESC[I-]OC(=O)OC1=C(C)OC(C)C1=O
InChIInChI=1S/C8H10IO5/c1-4-6(10)7(5(2)12-4)13-8(11)14-9-3/h4H,1-3H3/q-1
InChIKeyGLWBZQSEBZASIA-UHFFFAOYSA-N
XLogP-2.01
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.07
LogP ≤ 5-2.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-4-oxofuran-3-yl) methyliodanuidyl carbonate?
The IUPAC name of (2,5-dimethyl-4-oxofuran-3-yl) methyliodanuidyl carbonate (CID 163522723) is (2,5-dimethyl-4-oxofuran-3-yl) methyliodanuidyl carbonate.
What is the SMILES notation for (2,5-dimethyl-4-oxofuran-3-yl) methyliodanuidyl carbonate?
The canonical SMILES for (2,5-dimethyl-4-oxofuran-3-yl) methyliodanuidyl carbonate is C[I-]OC(=O)OC1=C(C)OC(C)C1=O.
What is the InChIKey of (2,5-dimethyl-4-oxofuran-3-yl) methyliodanuidyl carbonate?
The InChIKey is GLWBZQSEBZASIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10IO5/c1-4-6(10)7(5(2)12-4)13-8(11)14-9-3/h4H,1-3H3/q-1.
What are the key properties of (2,5-dimethyl-4-oxofuran-3-yl) methyliodanuidyl carbonate?
(2,5-dimethyl-4-oxofuran-3-yl) methyliodanuidyl carbonate has a molecular weight of 313.07 g/mol, XLogP of -2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-4-oxofuran-3-yl) methyliodanuidyl carbonate is sourced from PubChem (CID 163522723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).