zinc;hex-1-ene;bromide

C6H11BrZn — CID 57375949

IUPACzinc;hex-1-ene;bromide
SMILESC=CCCC[CH2-].[Br-].[Zn+2]
InChIInChI=1S/C6H11.BrH.Zn/c1-3-5-6-4-2;;/h3H,1-2,4-6H2;1H;/q-1;;+2/p-1
InChIKeyPYEUPXMYBMUNGY-UHFFFAOYSA-M
MW228.45 g/mol
LogP-0.82
Rot. Bonds3

About zinc;hex-1-ene;bromide

zinc;hex-1-ene;bromide (PubChem CID 57375949) has the molecular formula C6H11BrZn and a molecular weight of 228.45 g/mol. Its IUPAC name is zinc;hex-1-ene;bromide.

Molecular Properties

Compound Namezinc;hex-1-ene;bromide
PubChem CID57375949
Molecular FormulaC6H11BrZn
Molecular Weight228.45 g/mol
Exact Mass225.93
IUPAC Namezinc;hex-1-ene;bromide
SMILESC=CCCC[CH2-].[Br-].[Zn+2]
InChIInChI=1S/C6H11.BrH.Zn/c1-3-5-6-4-2;;/h3H,1-2,4-6H2;1H;/q-1;;+2/p-1
InChIKeyPYEUPXMYBMUNGY-UHFFFAOYSA-M
XLogP-0.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.45
LogP ≤ 5-0.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

lithium hex-1-ene
CID 10964413
zinc;ethane;undec-1-ene
CID 173301253
zinc;non-1-ene;propane
CID 173301341
(1Z,5Z)-cycloocta-1,5-diene;bis(hex-1-ene);palladium(2+)
CID 139239679
copper(1+);pent-1-ene
CID 11029887
(1Z,5Z)-cycloocta-1,5-diene;bis(dec-1-ene);palladium(2+)
CID 139239681
heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
dimagnesium;hexane;dibromide
CID 10334549
bis(hept-1-ene);platinum(2+);bis(triphenylphosphane)
CID 139239662
dimagnesium;dodecane;dibromide
CID 11760597
dodeca-1,6,11-triene
CID 548864

Frequently Asked Questions

What is the IUPAC name of zinc;hex-1-ene;bromide?
The IUPAC name of zinc;hex-1-ene;bromide (CID 57375949) is zinc;hex-1-ene;bromide.
What is the SMILES notation for zinc;hex-1-ene;bromide?
The canonical SMILES for zinc;hex-1-ene;bromide is C=CCCC[CH2-].[Br-].[Zn+2].
What is the InChIKey of zinc;hex-1-ene;bromide?
The InChIKey is PYEUPXMYBMUNGY-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11.BrH.Zn/c1-3-5-6-4-2;;/h3H,1-2,4-6H2;1H;/q-1;;+2/p-1.
What are the key properties of zinc;hex-1-ene;bromide?
zinc;hex-1-ene;bromide has a molecular weight of 228.45 g/mol, XLogP of -0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;hex-1-ene;bromide is sourced from PubChem (CID 57375949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).