oct-4-ene

C8H16 — CID 11621

IUPACoct-4-ene
SMILESCCCC=CCCC
InChIInChI=1S/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3
InChIKeyIRUCBBFNLDIMIK-UHFFFAOYSA-N
MW112.22 g/mol
LogP3.14
Rot. Bonds4

About oct-4-ene

oct-4-ene (PubChem CID 11621) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is oct-4-ene.

Molecular Properties

Compound Nameoct-4-ene
PubChem CID11621
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Nameoct-4-ene
SMILESCCCC=CCCC
InChIInChI=1S/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3
InChIKeyIRUCBBFNLDIMIK-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of oct-4-ene?
The IUPAC name of oct-4-ene (CID 11621) is oct-4-ene.
What is the SMILES notation for oct-4-ene?
The canonical SMILES for oct-4-ene is CCCC=CCCC.
What is the InChIKey of oct-4-ene?
The InChIKey is IRUCBBFNLDIMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3.
What are the key properties of oct-4-ene?
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 oct-4-ene is sourced from PubChem (CID 11621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).