magnesium;hydride;2-(2-pentyltetradecyl)propanedioic acid

C22H44MgO4 — CID 174967520

IUPACmagnesium;hydride;2-(2-pentyltetradecyl)propanedioic acid
SMILESCCCCCCCCCCCCC(CCCCC)CC(C(=O)O)C(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C22H42O4.Mg.2H/c1-3-5-7-8-9-10-11-12-13-15-17-19(16-14-6-4-2)18-20(21(23)24)22(25)26;;;/h19-20H,3-18H2,1-2H3,(H,23,24)(H,25,26);;;/q;+2;2*-1
InChIKeyHQQVVUUORPFFAZ-UHFFFAOYSA-N
MW396.90 g/mol
LogP6.51
Rot. Bonds19

About magnesium;hydride;2-(2-pentyltetradecyl)propanedioic acid

magnesium;hydride;2-(2-pentyltetradecyl)propanedioic acid (PubChem CID 174967520) has the molecular formula C22H44MgO4 and a molecular weight of 396.90 g/mol. Its IUPAC name is magnesium;hydride;2-(2-pentyltetradecyl)propanedioic acid.

Molecular Properties

Compound Namemagnesium;hydride;2-(2-pentyltetradecyl)propanedioic acid
PubChem CID174967520
Molecular FormulaC22H44MgO4
Molecular Weight396.90 g/mol
Exact Mass396.31
IUPAC Namemagnesium;hydride;2-(2-pentyltetradecyl)propanedioic acid
SMILESCCCCCCCCCCCCC(CCCCC)CC(C(=O)O)C(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C22H42O4.Mg.2H/c1-3-5-7-8-9-10-11-12-13-15-17-19(16-14-6-4-2)18-20(21(23)24)22(25)26;;;/h19-20H,3-18H2,1-2H3,(H,23,24)(H,25,26);;;/q;+2;2*-1
InChIKeyHQQVVUUORPFFAZ-UHFFFAOYSA-N
XLogP6.51
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.90
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

sodium;2-(2-heptyltetradecyl)propanedioic acid;hydride
CID 175226283
calcium;2-(2-butyldodecyl)propanedioic acid;hydride
CID 174967651
2-(2-butyltetradecyl)propanedioic acid
CID 174968707
sodium;hydride;2-(2-propyltetradecyl)propanedioic acid
CID 174968853
magnesium 2-(2-pentyltetradecyl)propanedioate
CID 175226063
magnesium;2-decylpropanedioic acid;hydride
CID 174968780
2-(6-ethylpentadecyl)propanedioic acid
CID 87568390
2-(8-methyl-2-propylnonyl)propanedioic acid
CID 18769237
2-decyl-4-hexyldodecanoic acid
CID 23195131
calcium;2-dodecylpropanedioic acid;hydride
CID 174967778
2-butyl-4-hexyldodecanoic acid
CID 154499879
4-butyl-2-octyldecanoic acid
CID 87603205

Frequently Asked Questions

What is the IUPAC name of magnesium;hydride;2-(2-pentyltetradecyl)propanedioic acid?
The IUPAC name of magnesium;hydride;2-(2-pentyltetradecyl)propanedioic acid (CID 174967520) is magnesium;hydride;2-(2-pentyltetradecyl)propanedioic acid.
What is the SMILES notation for magnesium;hydride;2-(2-pentyltetradecyl)propanedioic acid?
The canonical SMILES for magnesium;hydride;2-(2-pentyltetradecyl)propanedioic acid is CCCCCCCCCCCCC(CCCCC)CC(C(=O)O)C(=O)O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;hydride;2-(2-pentyltetradecyl)propanedioic acid?
The InChIKey is HQQVVUUORPFFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O4.Mg.2H/c1-3-5-7-8-9-10-11-12-13-15-17-19(16-14-6-4-2)18-20(21(23)24)22(25)26;;;/h19-20H,3-18H2,1-2H3,(H,23,24)(H,25,26);;;/q;+2;2*-1.
What are the key properties of magnesium;hydride;2-(2-pentyltetradecyl)propanedioic acid?
magnesium;hydride;2-(2-pentyltetradecyl)propanedioic acid has a molecular weight of 396.90 g/mol, XLogP of 6.51, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;hydride;2-(2-pentyltetradecyl)propanedioic acid is sourced from PubChem (CID 174967520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).