magnesium;hydride;2-methylhexanal

C7H16MgO — CID 175489752

IUPACmagnesium;hydride;2-methylhexanal
SMILESCCCCC(C)C=O.[H-].[H-].[Mg+2]
InChIInChI=1S/C7H14O.Mg.2H/c1-3-4-5-7(2)6-8;;;/h6-7H,3-5H2,1-2H3;;;/q;+2;2*-1
InChIKeyRYMGCYCSLJFSRE-UHFFFAOYSA-N
MW140.51 g/mol
LogP1.86
Rot. Bonds4

About magnesium;hydride;2-methylhexanal

magnesium;hydride;2-methylhexanal (PubChem CID 175489752) has the molecular formula C7H16MgO and a molecular weight of 140.51 g/mol. Its IUPAC name is magnesium;hydride;2-methylhexanal.

Molecular Properties

Compound Namemagnesium;hydride;2-methylhexanal
PubChem CID175489752
Molecular FormulaC7H16MgO
Molecular Weight140.51 g/mol
Exact Mass140.11
IUPAC Namemagnesium;hydride;2-methylhexanal
SMILESCCCCC(C)C=O.[H-].[H-].[Mg+2]
InChIInChI=1S/C7H14O.Mg.2H/c1-3-4-5-7(2)6-8;;;/h6-7H,3-5H2,1-2H3;;;/q;+2;2*-1
InChIKeyRYMGCYCSLJFSRE-UHFFFAOYSA-N
XLogP1.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.51
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyldodecanal
CID 87784106
1-methyltricosane-1,6,12,19-tetracarbaldehyde
CID 174477373
potassium;hydride;2-methylpentanal
CID 173401246
(2S,6S,10S,14S)-2,6,10,14-tetramethylhenicosanal
CID 139263692
2,6,6-trimethyldecanal
CID 175416251
2-methyldecanal;undecanal
CID 159845344
2-methylundecanal;tetradecanal
CID 87951053
(2S,6S)-6-hydroxy-2-methyldodecanal
CID 101186421
2-methylpentanal;propanal
CID 23460116
2,9-dimethyldecanal
CID 21437669
6-ethyl-2-methyl-5-oxodecanal
CID 170308949
(2S)-6-hydroxy-2-methylhexanal
CID 129362666

Frequently Asked Questions

What is the IUPAC name of magnesium;hydride;2-methylhexanal?
The IUPAC name of magnesium;hydride;2-methylhexanal (CID 175489752) is magnesium;hydride;2-methylhexanal.
What is the SMILES notation for magnesium;hydride;2-methylhexanal?
The canonical SMILES for magnesium;hydride;2-methylhexanal is CCCCC(C)C=O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;hydride;2-methylhexanal?
The InChIKey is RYMGCYCSLJFSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.Mg.2H/c1-3-4-5-7(2)6-8;;;/h6-7H,3-5H2,1-2H3;;;/q;+2;2*-1.
What are the key properties of magnesium;hydride;2-methylhexanal?
magnesium;hydride;2-methylhexanal has a molecular weight of 140.51 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;hydride;2-methylhexanal is sourced from PubChem (CID 175489752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).