(2Z,4Z,6Z)-3-iodoocta-2,4,6-triene

C8H11I — CID 88904584

IUPAC(2Z,4Z,6Z)-3-iodoocta-2,4,6-triene
SMILESC/C=C\C=C/C(I)=C/C
InChIInChI=1S/C8H11I/c1-3-5-6-7-8(9)4-2/h3-7H,1-2H3/b5-3-,7-6-,8-4-
InChIKeyWLPHOFSXYOCXSD-ALFUGJGVSA-N
MW234.08 g/mol
LogP3.46
Rot. Bonds2

About (2Z,4Z,6Z)-3-iodoocta-2,4,6-triene

(2Z,4Z,6Z)-3-iodoocta-2,4,6-triene (PubChem CID 88904584) has the molecular formula C8H11I and a molecular weight of 234.08 g/mol. Its IUPAC name is (2Z,4Z,6Z)-3-iodoocta-2,4,6-triene.

Molecular Properties

Compound Name(2Z,4Z,6Z)-3-iodoocta-2,4,6-triene
PubChem CID88904584
Molecular FormulaC8H11I
Molecular Weight234.08 g/mol
Exact Mass233.99
IUPAC Name(2Z,4Z,6Z)-3-iodoocta-2,4,6-triene
SMILESC/C=C\C=C/C(I)=C/C
InChIInChI=1S/C8H11I/c1-3-5-6-7-8(9)4-2/h3-7H,1-2H3/b5-3-,7-6-,8-4-
InChIKeyWLPHOFSXYOCXSD-ALFUGJGVSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.08
LogP ≤ 53.46
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 (2Z,4Z,6Z)-3-iodoocta-2,4,6-triene?
The IUPAC name of (2Z,4Z,6Z)-3-iodoocta-2,4,6-triene (CID 88904584) is (2Z,4Z,6Z)-3-iodoocta-2,4,6-triene.
What is the SMILES notation for (2Z,4Z,6Z)-3-iodoocta-2,4,6-triene?
The canonical SMILES for (2Z,4Z,6Z)-3-iodoocta-2,4,6-triene is C/C=C\C=C/C(I)=C/C.
What is the InChIKey of (2Z,4Z,6Z)-3-iodoocta-2,4,6-triene?
The InChIKey is WLPHOFSXYOCXSD-ALFUGJGVSA-N. The full InChI is InChI=1S/C8H11I/c1-3-5-6-7-8(9)4-2/h3-7H,1-2H3/b5-3-,7-6-,8-4-.
What are the key properties of (2Z,4Z,6Z)-3-iodoocta-2,4,6-triene?
(2Z,4Z,6Z)-3-iodoocta-2,4,6-triene has a molecular weight of 234.08 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,6Z)-3-iodoocta-2,4,6-triene is sourced from PubChem (CID 88904584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).