(3E,5Z)-3-iodohepta-1,3,5-triene

C7H9I — CID 89257521

IUPAC(3E,5Z)-3-iodohepta-1,3,5-triene
SMILESC=C/C(I)=C\C=C/C
InChIInChI=1S/C7H9I/c1-3-5-6-7(8)4-2/h3-6H,2H2,1H3/b5-3-,7-6+
InChIKeyORTKSDOSWKZEKW-AIJKMKQJSA-N
MW220.05 g/mol
LogP3.07
Rot. Bonds2

About (3E,5Z)-3-iodohepta-1,3,5-triene

(3E,5Z)-3-iodohepta-1,3,5-triene (PubChem CID 89257521) has the molecular formula C7H9I and a molecular weight of 220.05 g/mol. Its IUPAC name is (3E,5Z)-3-iodohepta-1,3,5-triene.

Molecular Properties

Compound Name(3E,5Z)-3-iodohepta-1,3,5-triene
PubChem CID89257521
Molecular FormulaC7H9I
Molecular Weight220.05 g/mol
Exact Mass219.97
IUPAC Name(3E,5Z)-3-iodohepta-1,3,5-triene
SMILESC=C/C(I)=C\C=C/C
InChIInChI=1S/C7H9I/c1-3-5-6-7(8)4-2/h3-6H,2H2,1H3/b5-3-,7-6+
InChIKeyORTKSDOSWKZEKW-AIJKMKQJSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.05
LogP ≤ 53.07
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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Related Compounds

ethane;(5E)-3-ethenylhepta-1,3,5-triene
CID 143978470
(3E)-3-iodohexa-1,3,5-triene
CID 170744862
(3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;methane
CID 142141594
N-[(1E,3Z)-1-iodopenta-1,3-dienyl]methanimine
CID 163860981
(2Z,4Z)-2-ethenylhexa-2,4-dien-1-imine
CID 156799789
(3E,5Z)-3-methylsulfanylhepta-1,3,5-triene
CID 89470385
ethane;(3E,5E)-3-methylsulfanylhepta-1,3,5-triene
CID 142207373
[(3E,5Z)-hepta-1,3,5-trien-3-yl] thiohypochlorite
CID 143926212
ethane;(3Z,5Z)-3-propan-2-ylhepta-1,3,5-triene
CID 142182203
ethane;(2E,4Z)-2-ethenylhexa-2,4-dien-1-amine
CID 143793219
ethane;(3E,5Z)-3-ethenylhepta-3,5-dien-2-ol
CID 143979742
(3E,5Z)-hepta-1,3,5-triene-3-sulfonic acid
CID 142823719

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-3-iodohepta-1,3,5-triene?
The IUPAC name of (3E,5Z)-3-iodohepta-1,3,5-triene (CID 89257521) is (3E,5Z)-3-iodohepta-1,3,5-triene.
What is the SMILES notation for (3E,5Z)-3-iodohepta-1,3,5-triene?
The canonical SMILES for (3E,5Z)-3-iodohepta-1,3,5-triene is C=C/C(I)=C\C=C/C.
What is the InChIKey of (3E,5Z)-3-iodohepta-1,3,5-triene?
The InChIKey is ORTKSDOSWKZEKW-AIJKMKQJSA-N. The full InChI is InChI=1S/C7H9I/c1-3-5-6-7(8)4-2/h3-6H,2H2,1H3/b5-3-,7-6+.
What are the key properties of (3E,5Z)-3-iodohepta-1,3,5-triene?
(3E,5Z)-3-iodohepta-1,3,5-triene has a molecular weight of 220.05 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-3-iodohepta-1,3,5-triene is sourced from PubChem (CID 89257521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).