(E)-4-iodooct-4-ene

C8H15I — CID 10857505

IUPAC(E)-4-iodooct-4-ene
SMILESCCC/C=C(/I)CCC
InChIInChI=1S/C8H15I/c1-3-5-7-8(9)6-4-2/h7H,3-6H2,1-2H3/b8-7+
InChIKeyNEWLPVVMXHIAJU-BQYQJAHWSA-N
MW238.11 g/mol
LogP3.91
Rot. Bonds4

About (E)-4-iodooct-4-ene

(E)-4-iodooct-4-ene (PubChem CID 10857505) has the molecular formula C8H15I and a molecular weight of 238.11 g/mol. Its IUPAC name is (E)-4-iodooct-4-ene.

Molecular Properties

Compound Name(E)-4-iodooct-4-ene
PubChem CID10857505
Molecular FormulaC8H15I
Molecular Weight238.11 g/mol
Exact Mass238.02
IUPAC Name(E)-4-iodooct-4-ene
SMILESCCC/C=C(/I)CCC
InChIInChI=1S/C8H15I/c1-3-5-7-8(9)6-4-2/h7H,3-6H2,1-2H3/b8-7+
InChIKeyNEWLPVVMXHIAJU-BQYQJAHWSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.11
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-iodooct-4-ene?
The IUPAC name of (E)-4-iodooct-4-ene (CID 10857505) is (E)-4-iodooct-4-ene.
What is the SMILES notation for (E)-4-iodooct-4-ene?
The canonical SMILES for (E)-4-iodooct-4-ene is CCC/C=C(/I)CCC.
What is the InChIKey of (E)-4-iodooct-4-ene?
The InChIKey is NEWLPVVMXHIAJU-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H15I/c1-3-5-7-8(9)6-4-2/h7H,3-6H2,1-2H3/b8-7+.
What are the key properties of (E)-4-iodooct-4-ene?
(E)-4-iodooct-4-ene has a molecular weight of 238.11 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-iodooct-4-ene is sourced from PubChem (CID 10857505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).