bromozinc(1+);dodecane

C12H25BrZn — CID 146001615

IUPACbromozinc(1+);dodecane
SMILESC[CH-]CCCCCCCCCC.[Zn+]Br
InChIInChI=1S/C12H25.BrH.Zn/c1-3-5-7-9-11-12-10-8-6-4-2;;/h3H,4-12H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyCELAVMNJNASFJU-UHFFFAOYSA-M
MW314.63 g/mol
LogP5.58
Rot. Bonds9

About bromozinc(1+);dodecane

bromozinc(1+);dodecane (PubChem CID 146001615) has the molecular formula C12H25BrZn and a molecular weight of 314.63 g/mol. Its IUPAC name is bromozinc(1+);dodecane.

Molecular Properties

Compound Namebromozinc(1+);dodecane
PubChem CID146001615
Molecular FormulaC12H25BrZn
Molecular Weight314.63 g/mol
Exact Mass312.04
IUPAC Namebromozinc(1+);dodecane
SMILESC[CH-]CCCCCCCCCC.[Zn+]Br
InChIInChI=1S/C12H25.BrH.Zn/c1-3-5-7-9-11-12-10-8-6-4-2;;/h3H,4-12H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyCELAVMNJNASFJU-UHFFFAOYSA-M
XLogP5.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.63
LogP ≤ 55.58
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'}

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Related Compounds

undecane
CID 91018991
octane;titanium
CID 174186128
magnesium;carbanide;nonane;hydrochloride
CID 88770024
lithium;nonane;propanedioic acid
CID 174967507
dohexacontane
CID 522644
triacontane
CID 12535
dictane
CID 19848341
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
CID 161246447
CID 161246447

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);dodecane?
The IUPAC name of bromozinc(1+);dodecane (CID 146001615) is bromozinc(1+);dodecane.
What is the SMILES notation for bromozinc(1+);dodecane?
The canonical SMILES for bromozinc(1+);dodecane is C[CH-]CCCCCCCCCC.[Zn+]Br.
What is the InChIKey of bromozinc(1+);dodecane?
The InChIKey is CELAVMNJNASFJU-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H25.BrH.Zn/c1-3-5-7-9-11-12-10-8-6-4-2;;/h3H,4-12H2,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);dodecane?
bromozinc(1+);dodecane has a molecular weight of 314.63 g/mol, XLogP of 5.58, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);dodecane is sourced from PubChem (CID 146001615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).