magnesium;hydride;5-propyloctanal

C11H24MgO — CID 173415253

IUPACmagnesium;hydride;5-propyloctanal
SMILESCCCC(CCC)CCCC=O.[H-].[H-].[Mg+2]
InChIInChI=1S/C11H22O.Mg.2H/c1-3-7-11(8-4-2)9-5-6-10-12;;;/h10-11H,3-9H2,1-2H3;;;/q;+2;2*-1
InChIKeyMZCUJARYZNCSOL-UHFFFAOYSA-N
MW196.62 g/mol
LogP3.42
Rot. Bonds8

About magnesium;hydride;5-propyloctanal

magnesium;hydride;5-propyloctanal (PubChem CID 173415253) has the molecular formula C11H24MgO and a molecular weight of 196.62 g/mol. Its IUPAC name is magnesium;hydride;5-propyloctanal.

Molecular Properties

Compound Namemagnesium;hydride;5-propyloctanal
PubChem CID173415253
Molecular FormulaC11H24MgO
Molecular Weight196.62 g/mol
Exact Mass196.17
IUPAC Namemagnesium;hydride;5-propyloctanal
SMILESCCCC(CCC)CCCC=O.[H-].[H-].[Mg+2]
InChIInChI=1S/C11H22O.Mg.2H/c1-3-7-11(8-4-2)9-5-6-10-12;;;/h10-11H,3-9H2,1-2H3;;;/q;+2;2*-1
InChIKeyMZCUJARYZNCSOL-UHFFFAOYSA-N
XLogP3.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.62
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-amino-5-propylnonanal
CID 151747721
7-propyldodecanal
CID 21439180
5-ethylundecanal
CID 54527856
4-butyloctanal;titanium
CID 175088006
5-hydroxyoctanal
CID 54248840
3-propylheptanal
CID 12639871
magnesium;butanal;hydride
CID 173011823
6-propyldec-1-ene
CID 22251175
5-ethylnonane;5-propylnonane
CID 157441807
7-(hydroxymethyl)undecanal
CID 123467970
alumane;5-methylheptanal
CID 175597367
(E)-10-propyldocos-5-ene
CID 173194543

Frequently Asked Questions

What is the IUPAC name of magnesium;hydride;5-propyloctanal?
The IUPAC name of magnesium;hydride;5-propyloctanal (CID 173415253) is magnesium;hydride;5-propyloctanal.
What is the SMILES notation for magnesium;hydride;5-propyloctanal?
The canonical SMILES for magnesium;hydride;5-propyloctanal is CCCC(CCC)CCCC=O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;hydride;5-propyloctanal?
The InChIKey is MZCUJARYZNCSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O.Mg.2H/c1-3-7-11(8-4-2)9-5-6-10-12;;;/h10-11H,3-9H2,1-2H3;;;/q;+2;2*-1.
What are the key properties of magnesium;hydride;5-propyloctanal?
magnesium;hydride;5-propyloctanal has a molecular weight of 196.62 g/mol, XLogP of 3.42, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;hydride;5-propyloctanal is sourced from PubChem (CID 173415253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).