8-bromo-5-(1-ethoxyethoxy)-2,6-dimethyloct-2-ene

C14H27BrO2 — CID 23341449

IUPAC8-bromo-5-(1-ethoxyethoxy)-2,6-dimethyloct-2-ene
SMILESCCOC(C)OC(CC=C(C)C)C(C)CCBr
InChIInChI=1S/C14H27BrO2/c1-6-16-13(5)17-14(8-7-11(2)3)12(4)9-10-15/h7,12-14H,6,8-10H2,1-5H3
InChIKeyUILOHVHPZVGFRU-UHFFFAOYSA-N
MW307.27 g/mol
LogP4.53
Rot. Bonds9

About 8-bromo-5-(1-ethoxyethoxy)-2,6-dimethyloct-2-ene

8-bromo-5-(1-ethoxyethoxy)-2,6-dimethyloct-2-ene (PubChem CID 23341449) has the molecular formula C14H27BrO2 and a molecular weight of 307.27 g/mol. Its IUPAC name is 8-bromo-5-(1-ethoxyethoxy)-2,6-dimethyloct-2-ene.

Molecular Properties

Compound Name8-bromo-5-(1-ethoxyethoxy)-2,6-dimethyloct-2-ene
PubChem CID23341449
Molecular FormulaC14H27BrO2
Molecular Weight307.27 g/mol
Exact Mass306.12
IUPAC Name8-bromo-5-(1-ethoxyethoxy)-2,6-dimethyloct-2-ene
SMILESCCOC(C)OC(CC=C(C)C)C(C)CCBr
InChIInChI=1S/C14H27BrO2/c1-6-16-13(5)17-14(8-7-11(2)3)12(4)9-10-15/h7,12-14H,6,8-10H2,1-5H3
InChIKeyUILOHVHPZVGFRU-UHFFFAOYSA-N
XLogP4.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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'}

Analyze 8-bromo-5-(1-ethoxyethoxy)-2,6-dimethyloct-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 8-bromo-5-(1-ethoxyethoxy)-2,6-dimethyloct-2-ene?
The IUPAC name of 8-bromo-5-(1-ethoxyethoxy)-2,6-dimethyloct-2-ene (CID 23341449) is 8-bromo-5-(1-ethoxyethoxy)-2,6-dimethyloct-2-ene.
What is the SMILES notation for 8-bromo-5-(1-ethoxyethoxy)-2,6-dimethyloct-2-ene?
The canonical SMILES for 8-bromo-5-(1-ethoxyethoxy)-2,6-dimethyloct-2-ene is CCOC(C)OC(CC=C(C)C)C(C)CCBr.
What is the InChIKey of 8-bromo-5-(1-ethoxyethoxy)-2,6-dimethyloct-2-ene?
The InChIKey is UILOHVHPZVGFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27BrO2/c1-6-16-13(5)17-14(8-7-11(2)3)12(4)9-10-15/h7,12-14H,6,8-10H2,1-5H3.
What are the key properties of 8-bromo-5-(1-ethoxyethoxy)-2,6-dimethyloct-2-ene?
8-bromo-5-(1-ethoxyethoxy)-2,6-dimethyloct-2-ene has a molecular weight of 307.27 g/mol, XLogP of 4.53, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-(1-ethoxyethoxy)-2,6-dimethyloct-2-ene is sourced from PubChem (CID 23341449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).