magnesium 1-(1-methanidyl-2-methylidenecyclohexyl)cyclopentan-1-olate

C13H20MgO — CID 10013578

IUPACmagnesium 1-(1-methanidyl-2-methylidenecyclohexyl)cyclopentan-1-olate
SMILESC=C1CCCCC1([CH2-])C1([O-])CCCC1.[Mg+2]
InChIInChI=1S/C13H20O.Mg/c1-11-7-3-4-8-12(11,2)13(14)9-5-6-10-13;/h1-10H2;/q-2;+2
InChIKeySJAWXWXWRNCAHD-UHFFFAOYSA-N
MW216.61 g/mol
LogP2.23
Rot. Bonds1

About magnesium 1-(1-methanidyl-2-methylidenecyclohexyl)cyclopentan-1-olate

magnesium 1-(1-methanidyl-2-methylidenecyclohexyl)cyclopentan-1-olate (PubChem CID 10013578) has the molecular formula C13H20MgO and a molecular weight of 216.61 g/mol. Its IUPAC name is magnesium 1-(1-methanidyl-2-methylidenecyclohexyl)cyclopentan-1-olate.

Molecular Properties

Compound Namemagnesium 1-(1-methanidyl-2-methylidenecyclohexyl)cyclopentan-1-olate
PubChem CID10013578
Molecular FormulaC13H20MgO
Molecular Weight216.61 g/mol
Exact Mass216.14
IUPAC Namemagnesium 1-(1-methanidyl-2-methylidenecyclohexyl)cyclopentan-1-olate
SMILESC=C1CCCCC1([CH2-])C1([O-])CCCC1.[Mg+2]
InChIInChI=1S/C13H20O.Mg/c1-11-7-3-4-8-12(11,2)13(14)9-5-6-10-13;/h1-10H2;/q-2;+2
InChIKeySJAWXWXWRNCAHD-UHFFFAOYSA-N
XLogP2.23
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.61
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium 1-(1-methanidyl-2-methylidenecyclohexyl)cyclopentan-1-olate?
The IUPAC name of magnesium 1-(1-methanidyl-2-methylidenecyclohexyl)cyclopentan-1-olate (CID 10013578) is magnesium 1-(1-methanidyl-2-methylidenecyclohexyl)cyclopentan-1-olate.
What is the SMILES notation for magnesium 1-(1-methanidyl-2-methylidenecyclohexyl)cyclopentan-1-olate?
The canonical SMILES for magnesium 1-(1-methanidyl-2-methylidenecyclohexyl)cyclopentan-1-olate is C=C1CCCCC1([CH2-])C1([O-])CCCC1.[Mg+2].
What is the InChIKey of magnesium 1-(1-methanidyl-2-methylidenecyclohexyl)cyclopentan-1-olate?
The InChIKey is SJAWXWXWRNCAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O.Mg/c1-11-7-3-4-8-12(11,2)13(14)9-5-6-10-13;/h1-10H2;/q-2;+2.
What are the key properties of magnesium 1-(1-methanidyl-2-methylidenecyclohexyl)cyclopentan-1-olate?
magnesium 1-(1-methanidyl-2-methylidenecyclohexyl)cyclopentan-1-olate has a molecular weight of 216.61 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium 1-(1-methanidyl-2-methylidenecyclohexyl)cyclopentan-1-olate is sourced from PubChem (CID 10013578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).