1-bromo-6-ethenoxyhexane

C8H15BrO — CID 58795171

IUPAC1-bromo-6-ethenoxyhexane
SMILESC=COCCCCCCBr
InChIInChI=1S/C8H15BrO/c1-2-10-8-6-4-3-5-7-9/h2H,1,3-8H2
InChIKeyOUOBLAUKXPLXRC-UHFFFAOYSA-N
MW207.11 g/mol
LogP3.10
Rot. Bonds7

About 1-bromo-6-ethenoxyhexane

1-bromo-6-ethenoxyhexane (PubChem CID 58795171) has the molecular formula C8H15BrO and a molecular weight of 207.11 g/mol. Its IUPAC name is 1-bromo-6-ethenoxyhexane.

Molecular Properties

Compound Name1-bromo-6-ethenoxyhexane
PubChem CID58795171
Molecular FormulaC8H15BrO
Molecular Weight207.11 g/mol
Exact Mass206.03
IUPAC Name1-bromo-6-ethenoxyhexane
SMILESC=COCCCCCCBr
InChIInChI=1S/C8H15BrO/c1-2-10-8-6-4-3-5-7-9/h2H,1,3-8H2
InChIKeyOUOBLAUKXPLXRC-UHFFFAOYSA-N
XLogP3.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.11
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-bromo-6-ethenoxyhexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,9-bis(ethenoxy)nonane
CID 21044784
1,16-bis(ethenoxy)hexadecane
CID 19877850
1-(2-bromoethoxy)-3-ethenoxypropane
CID 139639729
1-ethenoxytriacontane
CID 14647805
14-ethenoxytetradecan-1-ol
CID 139931182
1,4-bis(ethenoxy)butane;butane
CID 158192522
bis(6-ethenoxyhexyl) pentanedioate
CID 90256894
5-ethenoxy-N,N-dipentylpentan-1-amine
CID 139652992
1-bromo-9-but-3-enoxynonane
CID 105343299
1,8-bis(4-bromobutoxy)octane
CID 139648501
1,5-bis(4-bromobutoxy)pentane
CID 139648570
1-ethenoxy-3-methoxypropane
CID 22058891

Frequently Asked Questions

What is the IUPAC name of 1-bromo-6-ethenoxyhexane?
The IUPAC name of 1-bromo-6-ethenoxyhexane (CID 58795171) is 1-bromo-6-ethenoxyhexane.
What is the SMILES notation for 1-bromo-6-ethenoxyhexane?
The canonical SMILES for 1-bromo-6-ethenoxyhexane is C=COCCCCCCBr.
What is the InChIKey of 1-bromo-6-ethenoxyhexane?
The InChIKey is OUOBLAUKXPLXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrO/c1-2-10-8-6-4-3-5-7-9/h2H,1,3-8H2.
What are the key properties of 1-bromo-6-ethenoxyhexane?
1-bromo-6-ethenoxyhexane has a molecular weight of 207.11 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-6-ethenoxyhexane is sourced from PubChem (CID 58795171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).