1-bromo-6-ethoxyhexane

C8H17BrO — CID 11735938

IUPAC1-bromo-6-ethoxyhexane
SMILESCCOCCCCCCBr
InChIInChI=1S/C8H17BrO/c1-2-10-8-6-4-3-5-7-9/h2-8H2,1H3
InChIKeyCMTXMBRAEKCXMB-UHFFFAOYSA-N
MW209.13 g/mol
LogP2.98
Rot. Bonds7

About 1-bromo-6-ethoxyhexane

1-bromo-6-ethoxyhexane (PubChem CID 11735938) has the molecular formula C8H17BrO and a molecular weight of 209.13 g/mol. Its IUPAC name is 1-bromo-6-ethoxyhexane.

Molecular Properties

Compound Name1-bromo-6-ethoxyhexane
PubChem CID11735938
Molecular FormulaC8H17BrO
Molecular Weight209.13 g/mol
Exact Mass208.05
IUPAC Name1-bromo-6-ethoxyhexane
SMILESCCOCCCCCCBr
InChIInChI=1S/C8H17BrO/c1-2-10-8-6-4-3-5-7-9/h2-8H2,1H3
InChIKeyCMTXMBRAEKCXMB-UHFFFAOYSA-N
XLogP2.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.13
LogP ≤ 52.98
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'}

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Related Compounds

1-Bromo-6-methoxyhexane
CID 13034043
1-Bromo-6-(tert-butoxy)hexane
CID 13491371
Hexane, 2-bromo-1-methoxy
CID 524006
1-(2-Bromoethoxy)dodecane
CID 12857524
1-(2-(2-Bromoethoxy)ethoxy)hexane
CID 15752648
1-Bromo-10-ethoxydecane
CID 16744784
Bis-(6-bromo-hexyl)-ether
CID 53845814
Decyloxybutylbromide
CID 90319712
1-(2-Bromoethoxy)-1-fluorohexane
CID 88440056
1-(2-Bromoethoxy)-6-fluorohexane
CID 88440058
2-Bromo-1-methoxyheptane
CID 62320387
1-Bromo-2-methoxyheptane
CID 86009707

Frequently Asked Questions

What is the IUPAC name of 1-bromo-6-ethoxyhexane?
The IUPAC name of 1-bromo-6-ethoxyhexane (CID 11735938) is 1-bromo-6-ethoxyhexane.
What is the SMILES notation for 1-bromo-6-ethoxyhexane?
The canonical SMILES for 1-bromo-6-ethoxyhexane is CCOCCCCCCBr.
What is the InChIKey of 1-bromo-6-ethoxyhexane?
The InChIKey is CMTXMBRAEKCXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17BrO/c1-2-10-8-6-4-3-5-7-9/h2-8H2,1H3.
What are the key properties of 1-bromo-6-ethoxyhexane?
1-bromo-6-ethoxyhexane has a molecular weight of 209.13 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-6-ethoxyhexane is sourced from PubChem (CID 11735938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).