magnesium;pentane;bromide

C5H11BrMg — CID 12590025

IUPACmagnesium;pentane;bromide
SMILESC[CH-]CCC.[Br-].[Mg+2]
InChIInChI=1S/C5H11.BrH.Mg/c1-3-5-4-2;;/h3H,4-5H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyGYAMWRCWAQSACP-UHFFFAOYSA-M
MW175.35 g/mol
LogP-1.37
Rot. Bonds2

About magnesium;pentane;bromide

magnesium;pentane;bromide (PubChem CID 12590025) has the molecular formula C5H11BrMg and a molecular weight of 175.35 g/mol. Its IUPAC name is magnesium;pentane;bromide.

Molecular Properties

Compound Namemagnesium;pentane;bromide
PubChem CID12590025
Molecular FormulaC5H11BrMg
Molecular Weight175.35 g/mol
Exact Mass173.99
IUPAC Namemagnesium;pentane;bromide
SMILESC[CH-]CCC.[Br-].[Mg+2]
InChIInChI=1S/C5H11.BrH.Mg/c1-3-5-4-2;;/h3H,4-5H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyGYAMWRCWAQSACP-UHFFFAOYSA-M
XLogP-1.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.35
LogP ≤ 5-1.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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undecane
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CID 146001615
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lithium;magnesium;butane;dichloride
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hexane
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CID 173107039

Frequently Asked Questions

What is the IUPAC name of magnesium;pentane;bromide?
The IUPAC name of magnesium;pentane;bromide (CID 12590025) is magnesium;pentane;bromide.
What is the SMILES notation for magnesium;pentane;bromide?
The canonical SMILES for magnesium;pentane;bromide is C[CH-]CCC.[Br-].[Mg+2].
What is the InChIKey of magnesium;pentane;bromide?
The InChIKey is GYAMWRCWAQSACP-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11.BrH.Mg/c1-3-5-4-2;;/h3H,4-5H2,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;pentane;bromide?
magnesium;pentane;bromide has a molecular weight of 175.35 g/mol, XLogP of -1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;pentane;bromide is sourced from PubChem (CID 12590025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).