2-bromooct-4-ene

C8H15Br — CID 142101254

IUPAC2-bromooct-4-ene
SMILESCCCC=CCC(C)Br
InChIInChI=1S/C8H15Br/c1-3-4-5-6-7-8(2)9/h5-6,8H,3-4,7H2,1-2H3
InChIKeyLHNQDCGVQCRLED-UHFFFAOYSA-N
MW191.11 g/mol
LogP3.52
Rot. Bonds4

About 2-bromooct-4-ene

2-bromooct-4-ene (PubChem CID 142101254) has the molecular formula C8H15Br and a molecular weight of 191.11 g/mol. Its IUPAC name is 2-bromooct-4-ene.

Molecular Properties

Compound Name2-bromooct-4-ene
PubChem CID142101254
Molecular FormulaC8H15Br
Molecular Weight191.11 g/mol
Exact Mass190.04
IUPAC Name2-bromooct-4-ene
SMILESCCCC=CCC(C)Br
InChIInChI=1S/C8H15Br/c1-3-4-5-6-7-8(2)9/h5-6,8H,3-4,7H2,1-2H3
InChIKeyLHNQDCGVQCRLED-UHFFFAOYSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.11
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-bromooct-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 2-bromooct-4-ene?
The IUPAC name of 2-bromooct-4-ene (CID 142101254) is 2-bromooct-4-ene.
What is the SMILES notation for 2-bromooct-4-ene?
The canonical SMILES for 2-bromooct-4-ene is CCCC=CCC(C)Br.
What is the InChIKey of 2-bromooct-4-ene?
The InChIKey is LHNQDCGVQCRLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Br/c1-3-4-5-6-7-8(2)9/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 2-bromooct-4-ene?
2-bromooct-4-ene has a molecular weight of 191.11 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromooct-4-ene is sourced from PubChem (CID 142101254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).