1,1,1,2,3,4,4,4-octaiodobut-2-ene

C4I8 — CID 172825779

IUPAC1,1,1,2,3,4,4,4-octaiodobut-2-ene
SMILESIC(=C(I)C(I)(I)I)C(I)(I)I
InChIInChI=1S/C4I8/c5-1(3(7,8)9)2(6)4(10,11)12
InChIKeyUVNBMCVHDWDBJH-UHFFFAOYSA-N
MW1063.28 g/mol
LogP6.99
Rot. Bonds2

About 1,1,1,2,3,4,4,4-octaiodobut-2-ene

1,1,1,2,3,4,4,4-octaiodobut-2-ene (PubChem CID 172825779) has the molecular formula C4I8 and a molecular weight of 1063.28 g/mol. Its IUPAC name is 1,1,1,2,3,4,4,4-octaiodobut-2-ene.

Molecular Properties

Compound Name1,1,1,2,3,4,4,4-octaiodobut-2-ene
PubChem CID172825779
Molecular FormulaC4I8
Molecular Weight1063.28 g/mol
Exact Mass1063.24
IUPAC Name1,1,1,2,3,4,4,4-octaiodobut-2-ene
SMILESIC(=C(I)C(I)(I)I)C(I)(I)I
InChIInChI=1S/C4I8/c5-1(3(7,8)9)2(6)4(10,11)12
InChIKeyUVNBMCVHDWDBJH-UHFFFAOYSA-N
XLogP6.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001063.28
LogP ≤ 56.99
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 1,1,1,2,3,4,4,4-octaiodobut-2-ene?
The IUPAC name of 1,1,1,2,3,4,4,4-octaiodobut-2-ene (CID 172825779) is 1,1,1,2,3,4,4,4-octaiodobut-2-ene.
What is the SMILES notation for 1,1,1,2,3,4,4,4-octaiodobut-2-ene?
The canonical SMILES for 1,1,1,2,3,4,4,4-octaiodobut-2-ene is IC(=C(I)C(I)(I)I)C(I)(I)I.
What is the InChIKey of 1,1,1,2,3,4,4,4-octaiodobut-2-ene?
The InChIKey is UVNBMCVHDWDBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4I8/c5-1(3(7,8)9)2(6)4(10,11)12.
What are the key properties of 1,1,1,2,3,4,4,4-octaiodobut-2-ene?
1,1,1,2,3,4,4,4-octaiodobut-2-ene has a molecular weight of 1063.28 g/mol, XLogP of 6.99, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,4,4,4-octaiodobut-2-ene is sourced from PubChem (CID 172825779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).