magnesium;octane;propane

C11H24Mg — CID 140617216

IUPACmagnesium;octane;propane
SMILES[CH2-]CC.[CH2-]CCCCCCC.[Mg+2]
InChIInChI=1S/C8H17.C3H7.Mg/c1-3-5-7-8-6-4-2;1-3-2;/h1,3-8H2,2H3;1,3H2,2H3;/q2*-1;+2
InChIKeyKPKTWKDRUHHBJE-UHFFFAOYSA-N
MW180.62 g/mol
LogP4.03
Rot. Bonds5

About magnesium;octane;propane

magnesium;octane;propane (PubChem CID 140617216) has the molecular formula C11H24Mg and a molecular weight of 180.62 g/mol. Its IUPAC name is magnesium;octane;propane.

Molecular Properties

Compound Namemagnesium;octane;propane
PubChem CID140617216
Molecular FormulaC11H24Mg
Molecular Weight180.62 g/mol
Exact Mass180.17
IUPAC Namemagnesium;octane;propane
SMILES[CH2-]CC.[CH2-]CCCCCCC.[Mg+2]
InChIInChI=1S/C8H17.C3H7.Mg/c1-3-5-7-8-6-4-2;1-3-2;/h1,3-8H2,2H3;1,3H2,2H3;/q2*-1;+2
InChIKeyKPKTWKDRUHHBJE-UHFFFAOYSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.62
LogP ≤ 54.03
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 magnesium;octane;propane?
The IUPAC name of magnesium;octane;propane (CID 140617216) is magnesium;octane;propane.
What is the SMILES notation for magnesium;octane;propane?
The canonical SMILES for magnesium;octane;propane is [CH2-]CC.[CH2-]CCCCCCC.[Mg+2].
What is the InChIKey of magnesium;octane;propane?
The InChIKey is KPKTWKDRUHHBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17.C3H7.Mg/c1-3-5-7-8-6-4-2;1-3-2;/h1,3-8H2,2H3;1,3H2,2H3;/q2*-1;+2.
What are the key properties of magnesium;octane;propane?
magnesium;octane;propane has a molecular weight of 180.62 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;octane;propane is sourced from PubChem (CID 140617216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).