oct-1-ene

C8H16 — CID 8125

IUPACoct-1-ene
SMILESC=CCCCCCC
InChIInChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3
InChIKeyKWKAKUADMBZCLK-UHFFFAOYSA-N
MW112.22 g/mol
LogP3.14
Rot. Bonds5

About oct-1-ene

oct-1-ene (PubChem CID 8125) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is oct-1-ene.

Molecular Properties

Compound Nameoct-1-ene
PubChem CID8125
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Nameoct-1-ene
SMILESC=CCCCCCC
InChIInChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3
InChIKeyKWKAKUADMBZCLK-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze oct-1-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 oct-1-ene?
The IUPAC name of oct-1-ene (CID 8125) is oct-1-ene.
What is the SMILES notation for oct-1-ene?
The canonical SMILES for oct-1-ene is C=CCCCCCC.
What is the InChIKey of oct-1-ene?
The InChIKey is KWKAKUADMBZCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3.
What are the key properties of oct-1-ene?
oct-1-ene has a molecular weight of 112.22 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for oct-1-ene is sourced from PubChem (CID 8125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).