(E)-oct-4-ene

C8H16 — CID 5357253

IUPAC(E)-oct-4-ene
SMILESCCC/C=C/CCC
InChIInChI=1S/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3/b8-7+
InChIKeyIRUCBBFNLDIMIK-BQYQJAHWSA-N
MW112.22 g/mol
LogP3.14
Rot. Bonds4

About (E)-oct-4-ene

(E)-oct-4-ene (PubChem CID 5357253) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is (E)-oct-4-ene.

Molecular Properties

Compound Name(E)-oct-4-ene
PubChem CID5357253
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Name(E)-oct-4-ene
SMILESCCC/C=C/CCC
InChIInChI=1S/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3/b8-7+
InChIKeyIRUCBBFNLDIMIK-BQYQJAHWSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.22
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (E)-oct-4-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-oct-4-ene?
The IUPAC name of (E)-oct-4-ene (CID 5357253) is (E)-oct-4-ene.
What is the SMILES notation for (E)-oct-4-ene?
The canonical SMILES for (E)-oct-4-ene is CCC/C=C/CCC.
What is the InChIKey of (E)-oct-4-ene?
The InChIKey is IRUCBBFNLDIMIK-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3/b8-7+.
What are the key properties of (E)-oct-4-ene?
(E)-oct-4-ene has a molecular weight of 112.22 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-oct-4-ene is sourced from PubChem (CID 5357253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).