(E)-2,3-diiodobut-2-en-1-ol

C4H6I2O — CID 53376977

IUPAC(E)-2,3-diiodobut-2-en-1-ol
SMILESC/C(I)=C(\I)CO
InChIInChI=1S/C4H6I2O/c1-3(5)4(6)2-7/h7H,2H2,1H3/b4-3+
InChIKeyCBRWICWROPHRQY-ONEGZZNKSA-N
MW323.90 g/mol
LogP2.08
Rot. Bonds1

About (E)-2,3-diiodobut-2-en-1-ol

(E)-2,3-diiodobut-2-en-1-ol (PubChem CID 53376977) has the molecular formula C4H6I2O and a molecular weight of 323.90 g/mol. Its IUPAC name is (E)-2,3-diiodobut-2-en-1-ol.

Molecular Properties

Compound Name(E)-2,3-diiodobut-2-en-1-ol
PubChem CID53376977
Molecular FormulaC4H6I2O
Molecular Weight323.90 g/mol
Exact Mass323.85
IUPAC Name(E)-2,3-diiodobut-2-en-1-ol
SMILESC/C(I)=C(\I)CO
InChIInChI=1S/C4H6I2O/c1-3(5)4(6)2-7/h7H,2H2,1H3/b4-3+
InChIKeyCBRWICWROPHRQY-ONEGZZNKSA-N
XLogP2.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.90
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2,3-diiodobut-2-en-1-ol?
The IUPAC name of (E)-2,3-diiodobut-2-en-1-ol (CID 53376977) is (E)-2,3-diiodobut-2-en-1-ol.
What is the SMILES notation for (E)-2,3-diiodobut-2-en-1-ol?
The canonical SMILES for (E)-2,3-diiodobut-2-en-1-ol is C/C(I)=C(\I)CO.
What is the InChIKey of (E)-2,3-diiodobut-2-en-1-ol?
The InChIKey is CBRWICWROPHRQY-ONEGZZNKSA-N. The full InChI is InChI=1S/C4H6I2O/c1-3(5)4(6)2-7/h7H,2H2,1H3/b4-3+.
What are the key properties of (E)-2,3-diiodobut-2-en-1-ol?
(E)-2,3-diiodobut-2-en-1-ol has a molecular weight of 323.90 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-diiodobut-2-en-1-ol is sourced from PubChem (CID 53376977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).