magnesium;oxan-2-ol;prop-1-yne

C8H13MgO2+ — CID 173361213

IUPACmagnesium;oxan-2-ol;prop-1-yne
SMILESOC1CCCCO1.[C-]#CC.[Mg+2]
InChIInChI=1S/C5H10O2.C3H3.Mg/c6-5-3-1-2-4-7-5;1-3-2;/h5-6H,1-4H2;1H3;/q;-1;+2
InChIKeyVZNPAIBLULXPHN-UHFFFAOYSA-N
MW165.50 g/mol
LogP0.72
Rot. Bonds

About magnesium;oxan-2-ol;prop-1-yne

magnesium;oxan-2-ol;prop-1-yne (PubChem CID 173361213) has the molecular formula C8H13MgO2+ and a molecular weight of 165.50 g/mol. Its IUPAC name is magnesium;oxan-2-ol;prop-1-yne.

Molecular Properties

Compound Namemagnesium;oxan-2-ol;prop-1-yne
PubChem CID173361213
Molecular FormulaC8H13MgO2+
Molecular Weight165.50 g/mol
Exact Mass165.08
IUPAC Namemagnesium;oxan-2-ol;prop-1-yne
SMILESOC1CCCCO1.[C-]#CC.[Mg+2]
InChIInChI=1S/C5H10O2.C3H3.Mg/c6-5-3-1-2-4-7-5;1-3-2;/h5-6H,1-4H2;1H3;/q;-1;+2
InChIKeyVZNPAIBLULXPHN-UHFFFAOYSA-N
XLogP0.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.50
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;oxan-2-ol;prop-1-yne?
The IUPAC name of magnesium;oxan-2-ol;prop-1-yne (CID 173361213) is magnesium;oxan-2-ol;prop-1-yne.
What is the SMILES notation for magnesium;oxan-2-ol;prop-1-yne?
The canonical SMILES for magnesium;oxan-2-ol;prop-1-yne is OC1CCCCO1.[C-]#CC.[Mg+2].
What is the InChIKey of magnesium;oxan-2-ol;prop-1-yne?
The InChIKey is VZNPAIBLULXPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.C3H3.Mg/c6-5-3-1-2-4-7-5;1-3-2;/h5-6H,1-4H2;1H3;/q;-1;+2.
What are the key properties of magnesium;oxan-2-ol;prop-1-yne?
magnesium;oxan-2-ol;prop-1-yne has a molecular weight of 165.50 g/mol, XLogP of 0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;oxan-2-ol;prop-1-yne is sourced from PubChem (CID 173361213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).