trimagnesium;10-nonylnonadecane;tribromide

C28H55Br3Mg3 — CID 23563817

IUPACtrimagnesium;10-nonylnonadecane;tribromide
SMILES[Br-].[Br-].[Br-].[CH2-]CCCCCCCCC(CCCCCCCC[CH2-])CCCCCCCC[CH2-].[Mg+2].[Mg+2].[Mg+2]
InChIInChI=1S/C28H55.3BrH.3Mg/c1-4-7-10-13-16-19-22-25-28(26-23-20-17-14-11-8-5-2)27-24-21-18-15-12-9-6-3;;;;;;/h28H,1-27H2;3*1H;;;/q-3;;;;3*+2/p-3
InChIKeyZHJNLBACTFBGEJ-UHFFFAOYSA-K
MW704.37 g/mol
LogP0.34
Rot. Bonds24

About trimagnesium;10-nonylnonadecane;tribromide

trimagnesium;10-nonylnonadecane;tribromide (PubChem CID 23563817) has the molecular formula C28H55Br3Mg3 and a molecular weight of 704.37 g/mol. Its IUPAC name is trimagnesium;10-nonylnonadecane;tribromide.

Molecular Properties

Compound Nametrimagnesium;10-nonylnonadecane;tribromide
PubChem CID23563817
Molecular FormulaC28H55Br3Mg3
Molecular Weight704.37 g/mol
Exact Mass700.14
IUPAC Nametrimagnesium;10-nonylnonadecane;tribromide
SMILES[Br-].[Br-].[Br-].[CH2-]CCCCCCCCC(CCCCCCCC[CH2-])CCCCCCCC[CH2-].[Mg+2].[Mg+2].[Mg+2]
InChIInChI=1S/C28H55.3BrH.3Mg/c1-4-7-10-13-16-19-22-25-28(26-23-20-17-14-11-8-5-2)27-24-21-18-15-12-9-6-3;;;;;;/h28H,1-27H2;3*1H;;;/q-3;;;;3*+2/p-3
InChIKeyZHJNLBACTFBGEJ-UHFFFAOYSA-K
XLogP0.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500704.37
LogP ≤ 50.34
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'}

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Frequently Asked Questions

What is the IUPAC name of trimagnesium;10-nonylnonadecane;tribromide?
The IUPAC name of trimagnesium;10-nonylnonadecane;tribromide (CID 23563817) is trimagnesium;10-nonylnonadecane;tribromide.
What is the SMILES notation for trimagnesium;10-nonylnonadecane;tribromide?
The canonical SMILES for trimagnesium;10-nonylnonadecane;tribromide is [Br-].[Br-].[Br-].[CH2-]CCCCCCCCC(CCCCCCCC[CH2-])CCCCCCCC[CH2-].[Mg+2].[Mg+2].[Mg+2].
What is the InChIKey of trimagnesium;10-nonylnonadecane;tribromide?
The InChIKey is ZHJNLBACTFBGEJ-UHFFFAOYSA-K. The full InChI is InChI=1S/C28H55.3BrH.3Mg/c1-4-7-10-13-16-19-22-25-28(26-23-20-17-14-11-8-5-2)27-24-21-18-15-12-9-6-3;;;;;;/h28H,1-27H2;3*1H;;;/q-3;;;;3*+2/p-3.
What are the key properties of trimagnesium;10-nonylnonadecane;tribromide?
trimagnesium;10-nonylnonadecane;tribromide has a molecular weight of 704.37 g/mol, XLogP of 0.34, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimagnesium;10-nonylnonadecane;tribromide is sourced from PubChem (CID 23563817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).