8-bromo-1-(ethoxymethoxy)oct-3-ene

C11H21BrO2 — CID 163204915

IUPAC8-bromo-1-(ethoxymethoxy)oct-3-ene
SMILESCCOCOCCC=CCCCCBr
InChIInChI=1S/C11H21BrO2/c1-2-13-11-14-10-8-6-4-3-5-7-9-12/h4,6H,2-3,5,7-11H2,1H3
InChIKeyWLHFULNJLKGENT-UHFFFAOYSA-N
MW265.19 g/mol
LogP3.51
Rot. Bonds10

About 8-bromo-1-(ethoxymethoxy)oct-3-ene

8-bromo-1-(ethoxymethoxy)oct-3-ene (PubChem CID 163204915) has the molecular formula C11H21BrO2 and a molecular weight of 265.19 g/mol. Its IUPAC name is 8-bromo-1-(ethoxymethoxy)oct-3-ene.

Molecular Properties

Compound Name8-bromo-1-(ethoxymethoxy)oct-3-ene
PubChem CID163204915
Molecular FormulaC11H21BrO2
Molecular Weight265.19 g/mol
Exact Mass264.07
IUPAC Name8-bromo-1-(ethoxymethoxy)oct-3-ene
SMILESCCOCOCCC=CCCCCBr
InChIInChI=1S/C11H21BrO2/c1-2-13-11-14-10-8-6-4-3-5-7-9-12/h4,6H,2-3,5,7-11H2,1H3
InChIKeyWLHFULNJLKGENT-UHFFFAOYSA-N
XLogP3.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-(ethoxymethoxy)oct-3-ene?
The IUPAC name of 8-bromo-1-(ethoxymethoxy)oct-3-ene (CID 163204915) is 8-bromo-1-(ethoxymethoxy)oct-3-ene.
What is the SMILES notation for 8-bromo-1-(ethoxymethoxy)oct-3-ene?
The canonical SMILES for 8-bromo-1-(ethoxymethoxy)oct-3-ene is CCOCOCCC=CCCCCBr.
What is the InChIKey of 8-bromo-1-(ethoxymethoxy)oct-3-ene?
The InChIKey is WLHFULNJLKGENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrO2/c1-2-13-11-14-10-8-6-4-3-5-7-9-12/h4,6H,2-3,5,7-11H2,1H3.
What are the key properties of 8-bromo-1-(ethoxymethoxy)oct-3-ene?
8-bromo-1-(ethoxymethoxy)oct-3-ene has a molecular weight of 265.19 g/mol, XLogP of 3.51, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1-(ethoxymethoxy)oct-3-ene is sourced from PubChem (CID 163204915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).