(E)-1,4-diiodo-2-methylbut-1-ene

C5H8I2 — CID 11163030

IUPAC(E)-1,4-diiodo-2-methylbut-1-ene
SMILESC/C(=C\I)CCI
InChIInChI=1S/C5H8I2/c1-5(4-7)2-3-6/h4H,2-3H2,1H3/b5-4+
InChIKeyUXCTVKGDGNHBCQ-SNAWJCMRSA-N
MW321.93 g/mol
LogP3.15
Rot. Bonds2

About (E)-1,4-diiodo-2-methylbut-1-ene

(E)-1,4-diiodo-2-methylbut-1-ene (PubChem CID 11163030) has the molecular formula C5H8I2 and a molecular weight of 321.93 g/mol. Its IUPAC name is (E)-1,4-diiodo-2-methylbut-1-ene.

Molecular Properties

Compound Name(E)-1,4-diiodo-2-methylbut-1-ene
PubChem CID11163030
Molecular FormulaC5H8I2
Molecular Weight321.93 g/mol
Exact Mass321.87
IUPAC Name(E)-1,4-diiodo-2-methylbut-1-ene
SMILESC/C(=C\I)CCI
InChIInChI=1S/C5H8I2/c1-5(4-7)2-3-6/h4H,2-3H2,1H3/b5-4+
InChIKeyUXCTVKGDGNHBCQ-SNAWJCMRSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.93
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 (E)-1,4-diiodo-2-methylbut-1-ene?
The IUPAC name of (E)-1,4-diiodo-2-methylbut-1-ene (CID 11163030) is (E)-1,4-diiodo-2-methylbut-1-ene.
What is the SMILES notation for (E)-1,4-diiodo-2-methylbut-1-ene?
The canonical SMILES for (E)-1,4-diiodo-2-methylbut-1-ene is C/C(=C\I)CCI.
What is the InChIKey of (E)-1,4-diiodo-2-methylbut-1-ene?
The InChIKey is UXCTVKGDGNHBCQ-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H8I2/c1-5(4-7)2-3-6/h4H,2-3H2,1H3/b5-4+.
What are the key properties of (E)-1,4-diiodo-2-methylbut-1-ene?
(E)-1,4-diiodo-2-methylbut-1-ene has a molecular weight of 321.93 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,4-diiodo-2-methylbut-1-ene is sourced from PubChem (CID 11163030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).