(1Z,3Z)-1,4-diiodo-2,3-dimethylbuta-1,3-diene

C6H8I2 — CID 45358282

IUPAC(1Z,3Z)-1,4-diiodo-2,3-dimethylbuta-1,3-diene
SMILESCC(=C/I)/C(C)=C\I
InChIInChI=1S/C6H8I2/c1-5(3-7)6(2)4-8/h3-4H,1-2H3/b5-3-,6-4-
InChIKeyBVNNYDAXKZOWPG-GLIMQPGKSA-N
MW333.94 g/mol
LogP3.66
Rot. Bonds1

About (1Z,3Z)-1,4-diiodo-2,3-dimethylbuta-1,3-diene

(1Z,3Z)-1,4-diiodo-2,3-dimethylbuta-1,3-diene (PubChem CID 45358282) has the molecular formula C6H8I2 and a molecular weight of 333.94 g/mol. Its IUPAC name is (1Z,3Z)-1,4-diiodo-2,3-dimethylbuta-1,3-diene.

Molecular Properties

Compound Name(1Z,3Z)-1,4-diiodo-2,3-dimethylbuta-1,3-diene
PubChem CID45358282
Molecular FormulaC6H8I2
Molecular Weight333.94 g/mol
Exact Mass333.87
IUPAC Name(1Z,3Z)-1,4-diiodo-2,3-dimethylbuta-1,3-diene
SMILESCC(=C/I)/C(C)=C\I
InChIInChI=1S/C6H8I2/c1-5(3-7)6(2)4-8/h3-4H,1-2H3/b5-3-,6-4-
InChIKeyBVNNYDAXKZOWPG-GLIMQPGKSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.94
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-1,4-diiodo-2,3-dimethylbuta-1,3-diene?
The IUPAC name of (1Z,3Z)-1,4-diiodo-2,3-dimethylbuta-1,3-diene (CID 45358282) is (1Z,3Z)-1,4-diiodo-2,3-dimethylbuta-1,3-diene.
What is the SMILES notation for (1Z,3Z)-1,4-diiodo-2,3-dimethylbuta-1,3-diene?
The canonical SMILES for (1Z,3Z)-1,4-diiodo-2,3-dimethylbuta-1,3-diene is CC(=C/I)/C(C)=C\I.
What is the InChIKey of (1Z,3Z)-1,4-diiodo-2,3-dimethylbuta-1,3-diene?
The InChIKey is BVNNYDAXKZOWPG-GLIMQPGKSA-N. The full InChI is InChI=1S/C6H8I2/c1-5(3-7)6(2)4-8/h3-4H,1-2H3/b5-3-,6-4-.
What are the key properties of (1Z,3Z)-1,4-diiodo-2,3-dimethylbuta-1,3-diene?
(1Z,3Z)-1,4-diiodo-2,3-dimethylbuta-1,3-diene has a molecular weight of 333.94 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-1,4-diiodo-2,3-dimethylbuta-1,3-diene is sourced from PubChem (CID 45358282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).