6-bromo-6-ethyloct-1-ene

C10H19Br — CID 10798895

IUPAC6-bromo-6-ethyloct-1-ene
SMILESC=CCCCC(Br)(CC)CC
InChIInChI=1S/C10H19Br/c1-4-7-8-9-10(11,5-2)6-3/h4H,1,5-9H2,2-3H3
InChIKeyCPQJBCDDHBHIJC-UHFFFAOYSA-N
MW219.17 g/mol
LogP4.30
Rot. Bonds6

About 6-bromo-6-ethyloct-1-ene

6-bromo-6-ethyloct-1-ene (PubChem CID 10798895) has the molecular formula C10H19Br and a molecular weight of 219.17 g/mol. Its IUPAC name is 6-bromo-6-ethyloct-1-ene.

Molecular Properties

Compound Name6-bromo-6-ethyloct-1-ene
PubChem CID10798895
Molecular FormulaC10H19Br
Molecular Weight219.17 g/mol
Exact Mass218.07
IUPAC Name6-bromo-6-ethyloct-1-ene
SMILESC=CCCCC(Br)(CC)CC
InChIInChI=1S/C10H19Br/c1-4-7-8-9-10(11,5-2)6-3/h4H,1,5-9H2,2-3H3
InChIKeyCPQJBCDDHBHIJC-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-6-ethyloct-1-ene?
The IUPAC name of 6-bromo-6-ethyloct-1-ene (CID 10798895) is 6-bromo-6-ethyloct-1-ene.
What is the SMILES notation for 6-bromo-6-ethyloct-1-ene?
The canonical SMILES for 6-bromo-6-ethyloct-1-ene is C=CCCCC(Br)(CC)CC.
What is the InChIKey of 6-bromo-6-ethyloct-1-ene?
The InChIKey is CPQJBCDDHBHIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19Br/c1-4-7-8-9-10(11,5-2)6-3/h4H,1,5-9H2,2-3H3.
What are the key properties of 6-bromo-6-ethyloct-1-ene?
6-bromo-6-ethyloct-1-ene has a molecular weight of 219.17 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-6-ethyloct-1-ene is sourced from PubChem (CID 10798895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).