[(3Z)-hexa-1,3,5-trien-2-yl]iodanuidylbenzene

C12H12I- — CID 58734719

IUPAC[(3Z)-hexa-1,3,5-trien-2-yl]iodanuidylbenzene
SMILESC=C/C=C\C(=C)[I-]c1ccccc1
InChIInChI=1S/C12H12I/c1-3-4-8-11(2)13-12-9-6-5-7-10-12/h3-10H,1-2H2/q-1/b8-4-
InChIKeyOIPWVZVWAFWETG-YWEYNIOJSA-N
MW283.13 g/mol
LogP0.20
Rot. Bonds4

About [(3Z)-hexa-1,3,5-trien-2-yl]iodanuidylbenzene

[(3Z)-hexa-1,3,5-trien-2-yl]iodanuidylbenzene (PubChem CID 58734719) has the molecular formula C12H12I- and a molecular weight of 283.13 g/mol. Its IUPAC name is [(3Z)-hexa-1,3,5-trien-2-yl]iodanuidylbenzene.

Molecular Properties

Compound Name[(3Z)-hexa-1,3,5-trien-2-yl]iodanuidylbenzene
PubChem CID58734719
Molecular FormulaC12H12I-
Molecular Weight283.13 g/mol
Exact Mass283.00
IUPAC Name[(3Z)-hexa-1,3,5-trien-2-yl]iodanuidylbenzene
SMILESC=C/C=C\C(=C)[I-]c1ccccc1
InChIInChI=1S/C12H12I/c1-3-4-8-11(2)13-12-9-6-5-7-10-12/h3-10H,1-2H2/q-1/b8-4-
InChIKeyOIPWVZVWAFWETG-YWEYNIOJSA-N
XLogP0.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 50.20
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 [(3Z)-hexa-1,3,5-trien-2-yl]iodanuidylbenzene?
The IUPAC name of [(3Z)-hexa-1,3,5-trien-2-yl]iodanuidylbenzene (CID 58734719) is [(3Z)-hexa-1,3,5-trien-2-yl]iodanuidylbenzene.
What is the SMILES notation for [(3Z)-hexa-1,3,5-trien-2-yl]iodanuidylbenzene?
The canonical SMILES for [(3Z)-hexa-1,3,5-trien-2-yl]iodanuidylbenzene is C=C/C=C\C(=C)[I-]c1ccccc1.
What is the InChIKey of [(3Z)-hexa-1,3,5-trien-2-yl]iodanuidylbenzene?
The InChIKey is OIPWVZVWAFWETG-YWEYNIOJSA-N. The full InChI is InChI=1S/C12H12I/c1-3-4-8-11(2)13-12-9-6-5-7-10-12/h3-10H,1-2H2/q-1/b8-4-.
What are the key properties of [(3Z)-hexa-1,3,5-trien-2-yl]iodanuidylbenzene?
[(3Z)-hexa-1,3,5-trien-2-yl]iodanuidylbenzene has a molecular weight of 283.13 g/mol, XLogP of 0.20, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-hexa-1,3,5-trien-2-yl]iodanuidylbenzene is sourced from PubChem (CID 58734719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).