(3E,5Z)-4-iodo-2,6-dimethylocta-1,3,5-triene

C10H15I — CID 89138232

IUPAC(3E,5Z)-4-iodo-2,6-dimethylocta-1,3,5-triene
SMILESC=C(C)/C=C(I)\C=C(\C)CC
InChIInChI=1S/C10H15I/c1-5-9(4)7-10(11)6-8(2)3/h6-7H,2,5H2,1,3-4H3/b9-7-,10-6+
InChIKeyFRXFWIIZLLQJLR-ODUODFHUSA-N
MW262.13 g/mol
LogP4.24
Rot. Bonds3

About (3E,5Z)-4-iodo-2,6-dimethylocta-1,3,5-triene

(3E,5Z)-4-iodo-2,6-dimethylocta-1,3,5-triene (PubChem CID 89138232) has the molecular formula C10H15I and a molecular weight of 262.13 g/mol. Its IUPAC name is (3E,5Z)-4-iodo-2,6-dimethylocta-1,3,5-triene.

Molecular Properties

Compound Name(3E,5Z)-4-iodo-2,6-dimethylocta-1,3,5-triene
PubChem CID89138232
Molecular FormulaC10H15I
Molecular Weight262.13 g/mol
Exact Mass262.02
IUPAC Name(3E,5Z)-4-iodo-2,6-dimethylocta-1,3,5-triene
SMILESC=C(C)/C=C(I)\C=C(\C)CC
InChIInChI=1S/C10H15I/c1-5-9(4)7-10(11)6-8(2)3/h6-7H,2,5H2,1,3-4H3/b9-7-,10-6+
InChIKeyFRXFWIIZLLQJLR-ODUODFHUSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.13
LogP ≤ 54.24
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 (3E,5Z)-4-iodo-2,6-dimethylocta-1,3,5-triene?
The IUPAC name of (3E,5Z)-4-iodo-2,6-dimethylocta-1,3,5-triene (CID 89138232) is (3E,5Z)-4-iodo-2,6-dimethylocta-1,3,5-triene.
What is the SMILES notation for (3E,5Z)-4-iodo-2,6-dimethylocta-1,3,5-triene?
The canonical SMILES for (3E,5Z)-4-iodo-2,6-dimethylocta-1,3,5-triene is C=C(C)/C=C(I)\C=C(\C)CC.
What is the InChIKey of (3E,5Z)-4-iodo-2,6-dimethylocta-1,3,5-triene?
The InChIKey is FRXFWIIZLLQJLR-ODUODFHUSA-N. The full InChI is InChI=1S/C10H15I/c1-5-9(4)7-10(11)6-8(2)3/h6-7H,2,5H2,1,3-4H3/b9-7-,10-6+.
What are the key properties of (3E,5Z)-4-iodo-2,6-dimethylocta-1,3,5-triene?
(3E,5Z)-4-iodo-2,6-dimethylocta-1,3,5-triene has a molecular weight of 262.13 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-4-iodo-2,6-dimethylocta-1,3,5-triene is sourced from PubChem (CID 89138232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).