1,1-dibromo-4-ethylhex-1-ene

C8H14Br2 — CID 126663824

IUPAC1,1-dibromo-4-ethylhex-1-ene
SMILESCCC(CC)CC=C(Br)Br
InChIInChI=1S/C8H14Br2/c1-3-7(4-2)5-6-8(9)10/h6-7H,3-5H2,1-2H3
InChIKeyZGAMUELGJUUOCU-UHFFFAOYSA-N
MW270.01 g/mol
LogP4.44
Rot. Bonds4

About 1,1-dibromo-4-ethylhex-1-ene

1,1-dibromo-4-ethylhex-1-ene (PubChem CID 126663824) has the molecular formula C8H14Br2 and a molecular weight of 270.01 g/mol. Its IUPAC name is 1,1-dibromo-4-ethylhex-1-ene.

Molecular Properties

Compound Name1,1-dibromo-4-ethylhex-1-ene
PubChem CID126663824
Molecular FormulaC8H14Br2
Molecular Weight270.01 g/mol
Exact Mass267.95
IUPAC Name1,1-dibromo-4-ethylhex-1-ene
SMILESCCC(CC)CC=C(Br)Br
InChIInChI=1S/C8H14Br2/c1-3-7(4-2)5-6-8(9)10/h6-7H,3-5H2,1-2H3
InChIKeyZGAMUELGJUUOCU-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.01
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-dibromo-4-ethylhex-1-ene?
The IUPAC name of 1,1-dibromo-4-ethylhex-1-ene (CID 126663824) is 1,1-dibromo-4-ethylhex-1-ene.
What is the SMILES notation for 1,1-dibromo-4-ethylhex-1-ene?
The canonical SMILES for 1,1-dibromo-4-ethylhex-1-ene is CCC(CC)CC=C(Br)Br.
What is the InChIKey of 1,1-dibromo-4-ethylhex-1-ene?
The InChIKey is ZGAMUELGJUUOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14Br2/c1-3-7(4-2)5-6-8(9)10/h6-7H,3-5H2,1-2H3.
What are the key properties of 1,1-dibromo-4-ethylhex-1-ene?
1,1-dibromo-4-ethylhex-1-ene has a molecular weight of 270.01 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibromo-4-ethylhex-1-ene is sourced from PubChem (CID 126663824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).