magnesium;hydride;1-hydroperoxypentane

C5H14MgO2 — CID 175424420

IUPACmagnesium;hydride;1-hydroperoxypentane
SMILESCCCCCOO.[H-].[H-].[Mg+2]
InChIInChI=1S/C5H12O2.Mg.2H/c1-2-3-4-5-7-6;;;/h6H,2-5H2,1H3;;;/q;+2;2*-1
InChIKeyHJWUUTYUOKDEMQ-UHFFFAOYSA-N
MW130.47 g/mol
LogP1.51
Rot. Bonds4

About magnesium;hydride;1-hydroperoxypentane

magnesium;hydride;1-hydroperoxypentane (PubChem CID 175424420) has the molecular formula C5H14MgO2 and a molecular weight of 130.47 g/mol. Its IUPAC name is magnesium;hydride;1-hydroperoxypentane.

Molecular Properties

Compound Namemagnesium;hydride;1-hydroperoxypentane
PubChem CID175424420
Molecular FormulaC5H14MgO2
Molecular Weight130.47 g/mol
Exact Mass130.08
IUPAC Namemagnesium;hydride;1-hydroperoxypentane
SMILESCCCCCOO.[H-].[H-].[Mg+2]
InChIInChI=1S/C5H12O2.Mg.2H/c1-2-3-4-5-7-6;;;/h6H,2-5H2,1H3;;;/q;+2;2*-1
InChIKeyHJWUUTYUOKDEMQ-UHFFFAOYSA-N
XLogP1.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.47
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of magnesium;hydride;1-hydroperoxypentane?
The IUPAC name of magnesium;hydride;1-hydroperoxypentane (CID 175424420) is magnesium;hydride;1-hydroperoxypentane.
What is the SMILES notation for magnesium;hydride;1-hydroperoxypentane?
The canonical SMILES for magnesium;hydride;1-hydroperoxypentane is CCCCCOO.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;hydride;1-hydroperoxypentane?
The InChIKey is HJWUUTYUOKDEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2.Mg.2H/c1-2-3-4-5-7-6;;;/h6H,2-5H2,1H3;;;/q;+2;2*-1.
What are the key properties of magnesium;hydride;1-hydroperoxypentane?
magnesium;hydride;1-hydroperoxypentane has a molecular weight of 130.47 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;hydride;1-hydroperoxypentane is sourced from PubChem (CID 175424420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).