3-[(2Z,4E)-5-iodo-4-methylpenta-2,4-dienyl]furan

C10H11IO — CID 11086952

IUPAC3-[(2Z,4E)-5-iodo-4-methylpenta-2,4-dienyl]furan
SMILESCC(/C=C\Cc1ccoc1)=C\I
InChIInChI=1S/C10H11IO/c1-9(7-11)3-2-4-10-5-6-12-8-10/h2-3,5-8H,4H2,1H3/b3-2-,9-7+
InChIKeyOLWARWXYNUWMEV-ZISRPPKGSA-N
MW274.10 g/mol
LogP3.72
Rot. Bonds3

About 3-[(2Z,4E)-5-iodo-4-methylpenta-2,4-dienyl]furan

3-[(2Z,4E)-5-iodo-4-methylpenta-2,4-dienyl]furan (PubChem CID 11086952) has the molecular formula C10H11IO and a molecular weight of 274.10 g/mol. Its IUPAC name is 3-[(2Z,4E)-5-iodo-4-methylpenta-2,4-dienyl]furan.

Molecular Properties

Compound Name3-[(2Z,4E)-5-iodo-4-methylpenta-2,4-dienyl]furan
PubChem CID11086952
Molecular FormulaC10H11IO
Molecular Weight274.10 g/mol
Exact Mass273.99
IUPAC Name3-[(2Z,4E)-5-iodo-4-methylpenta-2,4-dienyl]furan
SMILESCC(/C=C\Cc1ccoc1)=C\I
InChIInChI=1S/C10H11IO/c1-9(7-11)3-2-4-10-5-6-12-8-10/h2-3,5-8H,4H2,1H3/b3-2-,9-7+
InChIKeyOLWARWXYNUWMEV-ZISRPPKGSA-N
XLogP3.72
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.10
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-[(2Z,4E)-5-iodo-4-methylpenta-2,4-dienyl]furan?
The IUPAC name of 3-[(2Z,4E)-5-iodo-4-methylpenta-2,4-dienyl]furan (CID 11086952) is 3-[(2Z,4E)-5-iodo-4-methylpenta-2,4-dienyl]furan.
What is the SMILES notation for 3-[(2Z,4E)-5-iodo-4-methylpenta-2,4-dienyl]furan?
The canonical SMILES for 3-[(2Z,4E)-5-iodo-4-methylpenta-2,4-dienyl]furan is CC(/C=C\Cc1ccoc1)=C\I.
What is the InChIKey of 3-[(2Z,4E)-5-iodo-4-methylpenta-2,4-dienyl]furan?
The InChIKey is OLWARWXYNUWMEV-ZISRPPKGSA-N. The full InChI is InChI=1S/C10H11IO/c1-9(7-11)3-2-4-10-5-6-12-8-10/h2-3,5-8H,4H2,1H3/b3-2-,9-7+.
What are the key properties of 3-[(2Z,4E)-5-iodo-4-methylpenta-2,4-dienyl]furan?
3-[(2Z,4E)-5-iodo-4-methylpenta-2,4-dienyl]furan has a molecular weight of 274.10 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2Z,4E)-5-iodo-4-methylpenta-2,4-dienyl]furan is sourced from PubChem (CID 11086952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).