dibromozinc;9-methylnonadecane

C20H42Br2Zn — CID 174952791

IUPACdibromozinc;9-methylnonadecane
SMILESBr[Zn]Br.CCCCCCCCCCC(C)CCCCCCCC
InChIInChI=1S/C20H42.2BrH.Zn/c1-4-6-8-10-12-13-15-17-19-20(3)18-16-14-11-9-7-5-2;;;/h20H,4-19H2,1-3H3;2*1H;/q;;;+2/p-2
InChIKeyJDJQGTWKLMFLLH-UHFFFAOYSA-L
MW507.75 g/mol
LogP9.59
Rot. Bonds16

About dibromozinc;9-methylnonadecane

dibromozinc;9-methylnonadecane (PubChem CID 174952791) has the molecular formula C20H42Br2Zn and a molecular weight of 507.75 g/mol. Its IUPAC name is dibromozinc;9-methylnonadecane.

Molecular Properties

Compound Namedibromozinc;9-methylnonadecane
PubChem CID174952791
Molecular FormulaC20H42Br2Zn
Molecular Weight507.75 g/mol
Exact Mass504.09
IUPAC Namedibromozinc;9-methylnonadecane
SMILESBr[Zn]Br.CCCCCCCCCCC(C)CCCCCCCC
InChIInChI=1S/C20H42.2BrH.Zn/c1-4-6-8-10-12-13-15-17-19-20(3)18-16-14-11-9-7-5-2;;;/h20H,4-19H2,1-3H3;2*1H;/q;;;+2/p-2
InChIKeyJDJQGTWKLMFLLH-UHFFFAOYSA-L
XLogP9.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.75
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-methyloctacosane
CID 22223942
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
6-methylheptacosane
CID 22223776
15-methylhexatriacontane
CID 86002594
10,16-dimethyldotriacontane
CID 91748795
15-methyldotriacontane
CID 54168480
20-methyltetracontane
CID 20659070
8-methyloctacosane
CID 22224109
13,19-dimethylhentriacontane
CID 86136051
(6S)-6-methylnonadecane
CID 170848379
13,23-dimethylhexatriacontane
CID 6430392

Frequently Asked Questions

What is the IUPAC name of dibromozinc;9-methylnonadecane?
The IUPAC name of dibromozinc;9-methylnonadecane (CID 174952791) is dibromozinc;9-methylnonadecane.
What is the SMILES notation for dibromozinc;9-methylnonadecane?
The canonical SMILES for dibromozinc;9-methylnonadecane is Br[Zn]Br.CCCCCCCCCCC(C)CCCCCCCC.
What is the InChIKey of dibromozinc;9-methylnonadecane?
The InChIKey is JDJQGTWKLMFLLH-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H42.2BrH.Zn/c1-4-6-8-10-12-13-15-17-19-20(3)18-16-14-11-9-7-5-2;;;/h20H,4-19H2,1-3H3;2*1H;/q;;;+2/p-2.
What are the key properties of dibromozinc;9-methylnonadecane?
dibromozinc;9-methylnonadecane has a molecular weight of 507.75 g/mol, XLogP of 9.59, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibromozinc;9-methylnonadecane is sourced from PubChem (CID 174952791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).