magnesium;1-bromopentadecane;hydride

C15H33BrMg — CID 173122979

IUPACmagnesium;1-bromopentadecane;hydride
SMILESCCCCCCCCCCCCCCCBr.[H-].[H-].[Mg+2]
InChIInChI=1S/C15H31Br.Mg.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16;;;/h2-15H2,1H3;;;/q;+2;2*-1
InChIKeyYFRNLHDMGRKNSN-UHFFFAOYSA-N
MW317.64 g/mol
LogP6.32
Rot. Bonds13

About magnesium;1-bromopentadecane;hydride

magnesium;1-bromopentadecane;hydride (PubChem CID 173122979) has the molecular formula C15H33BrMg and a molecular weight of 317.64 g/mol. Its IUPAC name is magnesium;1-bromopentadecane;hydride.

Molecular Properties

Compound Namemagnesium;1-bromopentadecane;hydride
PubChem CID173122979
Molecular FormulaC15H33BrMg
Molecular Weight317.64 g/mol
Exact Mass316.16
IUPAC Namemagnesium;1-bromopentadecane;hydride
SMILESCCCCCCCCCCCCCCCBr.[H-].[H-].[Mg+2]
InChIInChI=1S/C15H31Br.Mg.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16;;;/h2-15H2,1H3;;;/q;+2;2*-1
InChIKeyYFRNLHDMGRKNSN-UHFFFAOYSA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.64
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 20496
1-bromooctane
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CID 174415075
1-bromobutane;1,6-dibromohexane
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1-bromopropane;octadecane
CID 174933584
1-bromohexadecane;N,N-diethylethanamine
CID 87113949
1-bromo-7,7-dideuterioundecane
CID 11075452
magnesium;sodium;hydride;tetradecane
CID 173272965
magnesium;hexane;hydride
CID 173107039
ethane;octadecane
CID 143981738
1-bromopentane;N-methylmethanamine;hydrobromide
CID 175458714

Frequently Asked Questions

What is the IUPAC name of magnesium;1-bromopentadecane;hydride?
The IUPAC name of magnesium;1-bromopentadecane;hydride (CID 173122979) is magnesium;1-bromopentadecane;hydride.
What is the SMILES notation for magnesium;1-bromopentadecane;hydride?
The canonical SMILES for magnesium;1-bromopentadecane;hydride is CCCCCCCCCCCCCCCBr.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;1-bromopentadecane;hydride?
The InChIKey is YFRNLHDMGRKNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31Br.Mg.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16;;;/h2-15H2,1H3;;;/q;+2;2*-1.
What are the key properties of magnesium;1-bromopentadecane;hydride?
magnesium;1-bromopentadecane;hydride has a molecular weight of 317.64 g/mol, XLogP of 6.32, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-bromopentadecane;hydride is sourced from PubChem (CID 173122979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).