zinc;3-methylbut-1-ene;bromide

C5H9BrZn — CID 171374529

IUPACzinc;3-methylbut-1-ene;bromide
SMILESC=C[C-](C)C.[Br-].[Zn+2]
InChIInChI=1S/C5H9.BrH.Zn/c1-4-5(2)3;;/h4H,1H2,2-3H3;1H;/q-1;;+2/p-1
InChIKeyNOIUUUTUKRSBFF-UHFFFAOYSA-M
MW214.42 g/mol
LogP-1.21
Rot. Bonds1

About zinc;3-methylbut-1-ene;bromide

zinc;3-methylbut-1-ene;bromide (PubChem CID 171374529) has the molecular formula C5H9BrZn and a molecular weight of 214.42 g/mol. Its IUPAC name is zinc;3-methylbut-1-ene;bromide.

Molecular Properties

Compound Namezinc;3-methylbut-1-ene;bromide
PubChem CID171374529
Molecular FormulaC5H9BrZn
Molecular Weight214.42 g/mol
Exact Mass211.92
IUPAC Namezinc;3-methylbut-1-ene;bromide
SMILESC=C[C-](C)C.[Br-].[Zn+2]
InChIInChI=1S/C5H9.BrH.Zn/c1-4-5(2)3;;/h4H,1H2,2-3H3;1H;/q-1;;+2/p-1
InChIKeyNOIUUUTUKRSBFF-UHFFFAOYSA-M
XLogP-1.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.42
LogP ≤ 5-1.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-methylpenta-1,4-diene
CID 102571839
prop-1-ene
CID 162178440
ethenyl(methyl)sulfanium bromide
CID 161070782
ethene;tetrakis(prop-1-ene)
CID 158667737
λ2-plumbane;prop-1-ene
CID 173103273
ethane;bis(prop-1-ene)
CID 91426438
azane;tris(prop-1-ene)
CID 162019717
azane;tris(prop-1-ene)
CID 173323353
ethane;tetrakis(prop-1-ene)
CID 90918926
bis(prop-1-ene);hydrate
CID 21257591
prop-1-ene;hydrochloride
CID 19097823
ethenyl(trimethyl)azanium;formaldehyde
CID 118496575

Frequently Asked Questions

What is the IUPAC name of zinc;3-methylbut-1-ene;bromide?
The IUPAC name of zinc;3-methylbut-1-ene;bromide (CID 171374529) is zinc;3-methylbut-1-ene;bromide.
What is the SMILES notation for zinc;3-methylbut-1-ene;bromide?
The canonical SMILES for zinc;3-methylbut-1-ene;bromide is C=C[C-](C)C.[Br-].[Zn+2].
What is the InChIKey of zinc;3-methylbut-1-ene;bromide?
The InChIKey is NOIUUUTUKRSBFF-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H9.BrH.Zn/c1-4-5(2)3;;/h4H,1H2,2-3H3;1H;/q-1;;+2/p-1.
What are the key properties of zinc;3-methylbut-1-ene;bromide?
zinc;3-methylbut-1-ene;bromide has a molecular weight of 214.42 g/mol, XLogP of -1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;3-methylbut-1-ene;bromide is sourced from PubChem (CID 171374529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).