magnesium;cyclohexane;hydroxymethanone

C7H12MgO2 — CID 175668097

IUPACmagnesium;cyclohexane;hydroxymethanone
SMILESO=[C-]O.[CH-]1CCCCC1.[Mg+2]
InChIInChI=1S/C6H11.CHO2.Mg/c1-2-4-6-5-3-1;2-1-3;/h1H,2-6H2;(H,2,3);/q2*-1;+2
InChIKeyQFWCOBZLGSBTLP-UHFFFAOYSA-N
MW152.48 g/mol
LogP1.39
Rot. Bonds

About magnesium;cyclohexane;hydroxymethanone

magnesium;cyclohexane;hydroxymethanone (PubChem CID 175668097) has the molecular formula C7H12MgO2 and a molecular weight of 152.48 g/mol. Its IUPAC name is magnesium;cyclohexane;hydroxymethanone.

Molecular Properties

Compound Namemagnesium;cyclohexane;hydroxymethanone
PubChem CID175668097
Molecular FormulaC7H12MgO2
Molecular Weight152.48 g/mol
Exact Mass152.07
IUPAC Namemagnesium;cyclohexane;hydroxymethanone
SMILESO=[C-]O.[CH-]1CCCCC1.[Mg+2]
InChIInChI=1S/C6H11.CHO2.Mg/c1-2-4-6-5-3-1;2-1-3;/h1H,2-6H2;(H,2,3);/q2*-1;+2
InChIKeyQFWCOBZLGSBTLP-UHFFFAOYSA-N
XLogP1.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.48
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;cyclohexane;hydroxymethanone?
The IUPAC name of magnesium;cyclohexane;hydroxymethanone (CID 175668097) is magnesium;cyclohexane;hydroxymethanone.
What is the SMILES notation for magnesium;cyclohexane;hydroxymethanone?
The canonical SMILES for magnesium;cyclohexane;hydroxymethanone is O=[C-]O.[CH-]1CCCCC1.[Mg+2].
What is the InChIKey of magnesium;cyclohexane;hydroxymethanone?
The InChIKey is QFWCOBZLGSBTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11.CHO2.Mg/c1-2-4-6-5-3-1;2-1-3;/h1H,2-6H2;(H,2,3);/q2*-1;+2.
What are the key properties of magnesium;cyclohexane;hydroxymethanone?
magnesium;cyclohexane;hydroxymethanone has a molecular weight of 152.48 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;cyclohexane;hydroxymethanone is sourced from PubChem (CID 175668097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).