(E)-1,4,6-tribromohex-2-ene

C6H9Br3 — CID 20564969

IUPAC(E)-1,4,6-tribromohex-2-ene
SMILESBrC/C=C/C(Br)CCBr
InChIInChI=1S/C6H9Br3/c7-4-1-2-6(9)3-5-8/h1-2,6H,3-5H2/b2-1+
InChIKeyIEMSPIWEXQBVOS-OWOJBTEDSA-N
MW320.85 g/mol
LogP3.49
Rot. Bonds4

About (E)-1,4,6-tribromohex-2-ene

(E)-1,4,6-tribromohex-2-ene (PubChem CID 20564969) has the molecular formula C6H9Br3 and a molecular weight of 320.85 g/mol. Its IUPAC name is (E)-1,4,6-tribromohex-2-ene.

Molecular Properties

Compound Name(E)-1,4,6-tribromohex-2-ene
PubChem CID20564969
Molecular FormulaC6H9Br3
Molecular Weight320.85 g/mol
Exact Mass317.83
IUPAC Name(E)-1,4,6-tribromohex-2-ene
SMILESBrC/C=C/C(Br)CCBr
InChIInChI=1S/C6H9Br3/c7-4-1-2-6(9)3-5-8/h1-2,6H,3-5H2/b2-1+
InChIKeyIEMSPIWEXQBVOS-OWOJBTEDSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,4-dibromobutanal
CID 19782773
(E)-1,4-dibromopent-2-ene
CID 11183765
1,1,3,5-tetrabromopent-1-ene
CID 57268258
1-bromo-4-methylpent-2-ene
CID 71375147
3,6-dibromohex-1-ene-1,1-diol
CID 118275634
(E)-5-bromododec-3-ene
CID 88753626
(E,4R)-6-bromohex-2-ene-1,4-diol
CID 119097892
(E)-4-bromo-1,1-diethoxybut-2-ene
CID 14179247
1,3-dibromopropan-1-ol
CID 18177636
(E)-5-bromohept-3-ene
CID 10888461
(E)-1-bromo-3,7-dimethyloct-4-ene
CID 13192474
1,7-dibromo-3,5-dimethylheptane
CID 155037332

Frequently Asked Questions

What is the IUPAC name of (E)-1,4,6-tribromohex-2-ene?
The IUPAC name of (E)-1,4,6-tribromohex-2-ene (CID 20564969) is (E)-1,4,6-tribromohex-2-ene.
What is the SMILES notation for (E)-1,4,6-tribromohex-2-ene?
The canonical SMILES for (E)-1,4,6-tribromohex-2-ene is BrC/C=C/C(Br)CCBr.
What is the InChIKey of (E)-1,4,6-tribromohex-2-ene?
The InChIKey is IEMSPIWEXQBVOS-OWOJBTEDSA-N. The full InChI is InChI=1S/C6H9Br3/c7-4-1-2-6(9)3-5-8/h1-2,6H,3-5H2/b2-1+.
What are the key properties of (E)-1,4,6-tribromohex-2-ene?
(E)-1,4,6-tribromohex-2-ene has a molecular weight of 320.85 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,4,6-tribromohex-2-ene is sourced from PubChem (CID 20564969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).