5-bromo-1-(5-bromopent-2-enoxy)pent-2-ene

C10H16Br2O — CID 173405215

IUPAC5-bromo-1-(5-bromopent-2-enoxy)pent-2-ene
SMILESBrCCC=CCOCC=CCCBr
InChIInChI=1S/C10H16Br2O/c11-7-3-1-5-9-13-10-6-2-4-8-12/h1-2,5-6H,3-4,7-10H2
InChIKeyZCMDIBYARILETE-UHFFFAOYSA-N
MW312.05 g/mol
LogP3.69
Rot. Bonds8

About 5-bromo-1-(5-bromopent-2-enoxy)pent-2-ene

5-bromo-1-(5-bromopent-2-enoxy)pent-2-ene (PubChem CID 173405215) has the molecular formula C10H16Br2O and a molecular weight of 312.05 g/mol. Its IUPAC name is 5-bromo-1-(5-bromopent-2-enoxy)pent-2-ene.

Molecular Properties

Compound Name5-bromo-1-(5-bromopent-2-enoxy)pent-2-ene
PubChem CID173405215
Molecular FormulaC10H16Br2O
Molecular Weight312.05 g/mol
Exact Mass309.96
IUPAC Name5-bromo-1-(5-bromopent-2-enoxy)pent-2-ene
SMILESBrCCC=CCOCC=CCCBr
InChIInChI=1S/C10H16Br2O/c11-7-3-1-5-9-13-10-6-2-4-8-12/h1-2,5-6H,3-4,7-10H2
InChIKeyZCMDIBYARILETE-UHFFFAOYSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.05
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-bromo-1-(5-bromopent-2-enoxy)pent-2-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 5-bromo-1-(5-bromopent-2-enoxy)pent-2-ene?
The IUPAC name of 5-bromo-1-(5-bromopent-2-enoxy)pent-2-ene (CID 173405215) is 5-bromo-1-(5-bromopent-2-enoxy)pent-2-ene.
What is the SMILES notation for 5-bromo-1-(5-bromopent-2-enoxy)pent-2-ene?
The canonical SMILES for 5-bromo-1-(5-bromopent-2-enoxy)pent-2-ene is BrCCC=CCOCC=CCCBr.
What is the InChIKey of 5-bromo-1-(5-bromopent-2-enoxy)pent-2-ene?
The InChIKey is ZCMDIBYARILETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Br2O/c11-7-3-1-5-9-13-10-6-2-4-8-12/h1-2,5-6H,3-4,7-10H2.
What are the key properties of 5-bromo-1-(5-bromopent-2-enoxy)pent-2-ene?
5-bromo-1-(5-bromopent-2-enoxy)pent-2-ene has a molecular weight of 312.05 g/mol, XLogP of 3.69, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(5-bromopent-2-enoxy)pent-2-ene is sourced from PubChem (CID 173405215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).