magnesium;hydride;2-hydroxy-5-nonylbenzaldehyde

C16H26MgO2 — CID 174742388

IUPACmagnesium;hydride;2-hydroxy-5-nonylbenzaldehyde
SMILESCCCCCCCCCc1ccc(O)c(C=O)c1.[H-].[H-].[Mg+2]
InChIInChI=1S/C16H24O2.Mg.2H/c1-2-3-4-5-6-7-8-9-14-10-11-16(18)15(12-14)13-17;;;/h10-13,18H,2-9H2,1H3;;;/q;+2;2*-1
InChIKeyOUPIBULTAFLUSO-UHFFFAOYSA-N
MW274.69 g/mol
LogP4.34
Rot. Bonds9

About magnesium;hydride;2-hydroxy-5-nonylbenzaldehyde

magnesium;hydride;2-hydroxy-5-nonylbenzaldehyde (PubChem CID 174742388) has the molecular formula C16H26MgO2 and a molecular weight of 274.69 g/mol. Its IUPAC name is magnesium;hydride;2-hydroxy-5-nonylbenzaldehyde.

Molecular Properties

Compound Namemagnesium;hydride;2-hydroxy-5-nonylbenzaldehyde
PubChem CID174742388
Molecular FormulaC16H26MgO2
Molecular Weight274.69 g/mol
Exact Mass274.18
IUPAC Namemagnesium;hydride;2-hydroxy-5-nonylbenzaldehyde
SMILESCCCCCCCCCc1ccc(O)c(C=O)c1.[H-].[H-].[Mg+2]
InChIInChI=1S/C16H24O2.Mg.2H/c1-2-3-4-5-6-7-8-9-14-10-11-16(18)15(12-14)13-17;;;/h10-13,18H,2-9H2,1H3;;;/q;+2;2*-1
InChIKeyOUPIBULTAFLUSO-UHFFFAOYSA-N
XLogP4.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.69
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-hydroxy-4-pentadecylbenzaldehyde
CID 3270829
2-hydroxy-5-(4-phenylbutyl)benzaldehyde
CID 166610719
4-dodecyl-2-[(E)-hydroxyiminomethyl]phenol
CID 135441937
2-[2-[(2-hydroxy-5-icosylphenyl)methylideneamino]ethyliminomethyl]-4-icosylphenol
CID 136835691
5-[[5-butyl-3-[(3-formyl-4-hydroxyphenyl)methyl]-2-hydroxyphenyl]methyl]-2-hydroxybenzaldehyde
CID 87221690
5-hexadecyl-2-[(4-hydroxyphenyl)methyl]benzene-1,3-dicarbaldehyde
CID 174485603
2-ethyl-4-heptylphenol
CID 58289223
2,4-dipentylbenzaldehyde
CID 19008550
4-nonyl-2-pentylphenol
CID 86162849
2-methyl-4-octadecylphenol
CID 3022311
2-[(5-dodecyl-2-hydroxyphenyl)methylideneamino]ethanesulfonic acid
CID 136835607
N-(3-formyl-4-hydroxyphenyl)-N-[(4-heptylphenyl)methyl]benzamide
CID 144619615

Frequently Asked Questions

What is the IUPAC name of magnesium;hydride;2-hydroxy-5-nonylbenzaldehyde?
The IUPAC name of magnesium;hydride;2-hydroxy-5-nonylbenzaldehyde (CID 174742388) is magnesium;hydride;2-hydroxy-5-nonylbenzaldehyde.
What is the SMILES notation for magnesium;hydride;2-hydroxy-5-nonylbenzaldehyde?
The canonical SMILES for magnesium;hydride;2-hydroxy-5-nonylbenzaldehyde is CCCCCCCCCc1ccc(O)c(C=O)c1.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;hydride;2-hydroxy-5-nonylbenzaldehyde?
The InChIKey is OUPIBULTAFLUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2.Mg.2H/c1-2-3-4-5-6-7-8-9-14-10-11-16(18)15(12-14)13-17;;;/h10-13,18H,2-9H2,1H3;;;/q;+2;2*-1.
What are the key properties of magnesium;hydride;2-hydroxy-5-nonylbenzaldehyde?
magnesium;hydride;2-hydroxy-5-nonylbenzaldehyde has a molecular weight of 274.69 g/mol, XLogP of 4.34, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;hydride;2-hydroxy-5-nonylbenzaldehyde is sourced from PubChem (CID 174742388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).