magnesium;butane;octane;hydrochloride

C12H27ClMg — CID 87898861

IUPACmagnesium;butane;octane;hydrochloride
SMILESCl.[CH2-]CCC.[CH2-]CCCCCCC.[Mg+2]
InChIInChI=1S/C8H17.C4H9.ClH.Mg/c1-3-5-7-8-6-4-2;1-3-4-2;;/h1,3-8H2,2H3;1,3-4H2,2H3;1H;/q2*-1;;+2
InChIKeyYHRRHUVERQQWRV-UHFFFAOYSA-N
MW231.11 g/mol
LogP4.84
Rot. Bonds6

About magnesium;butane;octane;hydrochloride

magnesium;butane;octane;hydrochloride (PubChem CID 87898861) has the molecular formula C12H27ClMg and a molecular weight of 231.11 g/mol. Its IUPAC name is magnesium;butane;octane;hydrochloride.

Molecular Properties

Compound Namemagnesium;butane;octane;hydrochloride
PubChem CID87898861
Molecular FormulaC12H27ClMg
Molecular Weight231.11 g/mol
Exact Mass230.17
IUPAC Namemagnesium;butane;octane;hydrochloride
SMILESCl.[CH2-]CCC.[CH2-]CCCCCCC.[Mg+2]
InChIInChI=1S/C8H17.C4H9.ClH.Mg/c1-3-5-7-8-6-4-2;1-3-4-2;;/h1,3-8H2,2H3;1,3-4H2,2H3;1H;/q2*-1;;+2
InChIKeyYHRRHUVERQQWRV-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.11
LogP ≤ 54.84
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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Related Compounds

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magnesium;octane;propane
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dimagnesium;butane;heptane
CID 175022489
heptadecane
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Frequently Asked Questions

What is the IUPAC name of magnesium;butane;octane;hydrochloride?
The IUPAC name of magnesium;butane;octane;hydrochloride (CID 87898861) is magnesium;butane;octane;hydrochloride.
What is the SMILES notation for magnesium;butane;octane;hydrochloride?
The canonical SMILES for magnesium;butane;octane;hydrochloride is Cl.[CH2-]CCC.[CH2-]CCCCCCC.[Mg+2].
What is the InChIKey of magnesium;butane;octane;hydrochloride?
The InChIKey is YHRRHUVERQQWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17.C4H9.ClH.Mg/c1-3-5-7-8-6-4-2;1-3-4-2;;/h1,3-8H2,2H3;1,3-4H2,2H3;1H;/q2*-1;;+2.
What are the key properties of magnesium;butane;octane;hydrochloride?
magnesium;butane;octane;hydrochloride has a molecular weight of 231.11 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;butane;octane;hydrochloride is sourced from PubChem (CID 87898861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).