magnesium;(2E,5E)-octa-2,5-diene;bromide

C8H13BrMg — CID 15173349

IUPACmagnesium;(2E,5E)-octa-2,5-diene;bromide
SMILES[Br-].[CH2-]C/C=C/C/C=C/C.[Mg+2]
InChIInChI=1S/C8H13.BrH.Mg/c1-3-5-7-8-6-4-2;;/h4-7H,1,3,8H2,2H3;1H;/q-1;;+2/p-1/b6-4+,7-5+;;
InChIKeyIUHJRTZCKVFLBF-FNRGTACISA-M
MW213.40 g/mol
LogP-0.64
Rot. Bonds3

About magnesium;(2E,5E)-octa-2,5-diene;bromide

magnesium;(2E,5E)-octa-2,5-diene;bromide (PubChem CID 15173349) has the molecular formula C8H13BrMg and a molecular weight of 213.40 g/mol. Its IUPAC name is magnesium;(2E,5E)-octa-2,5-diene;bromide.

Molecular Properties

Compound Namemagnesium;(2E,5E)-octa-2,5-diene;bromide
PubChem CID15173349
Molecular FormulaC8H13BrMg
Molecular Weight213.40 g/mol
Exact Mass212.01
IUPAC Namemagnesium;(2E,5E)-octa-2,5-diene;bromide
SMILES[Br-].[CH2-]C/C=C/C/C=C/C.[Mg+2]
InChIInChI=1S/C8H13.BrH.Mg/c1-3-5-7-8-6-4-2;;/h4-7H,1,3,8H2,2H3;1H;/q-1;;+2/p-1/b6-4+,7-5+;;
InChIKeyIUHJRTZCKVFLBF-FNRGTACISA-M
XLogP-0.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.40
LogP ≤ 5-0.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(Z)-pent-2-ene;yttrium
CID 58491119
lithium pent-2-ene
CID 85106619
hepta-2,5-diene;rhodium
CID 159015179
ethane;(2Z,5Z)-hepta-2,5-diene
CID 142853970
octa-3,6-diene-1-thiol
CID 54552992
(4E)-1-chlorohexa-1,4-diene
CID 57257256
(2E,5E)-deca-2,5-diene
CID 6429648
hexa-1,4-diene
CID 163631115
magnesium;(E)-but-2-en-1-olate;bromide
CID 134896053
(4Z,7Z,10Z)-dodeca-4,7,10-trienoic acid
CID 88900992
(4E,7E,10E,13E,16E,19E)-henicosa-4,7,10,13,16,19-hexaenoic acid
CID 44602959
(2Z,5Z,8Z,11Z,14Z)-17,17-dimethoxyheptadeca-2,5,8,11,14-pentaene
CID 102155570

Frequently Asked Questions

What is the IUPAC name of magnesium;(2E,5E)-octa-2,5-diene;bromide?
The IUPAC name of magnesium;(2E,5E)-octa-2,5-diene;bromide (CID 15173349) is magnesium;(2E,5E)-octa-2,5-diene;bromide.
What is the SMILES notation for magnesium;(2E,5E)-octa-2,5-diene;bromide?
The canonical SMILES for magnesium;(2E,5E)-octa-2,5-diene;bromide is [Br-].[CH2-]C/C=C/C/C=C/C.[Mg+2].
What is the InChIKey of magnesium;(2E,5E)-octa-2,5-diene;bromide?
The InChIKey is IUHJRTZCKVFLBF-FNRGTACISA-M. The full InChI is InChI=1S/C8H13.BrH.Mg/c1-3-5-7-8-6-4-2;;/h4-7H,1,3,8H2,2H3;1H;/q-1;;+2/p-1/b6-4+,7-5+;;.
What are the key properties of magnesium;(2E,5E)-octa-2,5-diene;bromide?
magnesium;(2E,5E)-octa-2,5-diene;bromide has a molecular weight of 213.40 g/mol, XLogP of -0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;(2E,5E)-octa-2,5-diene;bromide is sourced from PubChem (CID 15173349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).