sodium;2-(2-heptyltetradecyl)propanedioic acid;hydride

C24H47NaO4 — CID 175226283

IUPACsodium;2-(2-heptyltetradecyl)propanedioic acid;hydride
SMILESCCCCCCCCCCCCC(CCCCCCC)CC(C(=O)O)C(=O)O.[H-].[Na+]
InChIInChI=1S/C24H46O4.Na.H/c1-3-5-7-9-10-11-12-13-15-17-19-21(18-16-14-8-6-4-2)20-22(23(25)26)24(27)28;;/h21-22H,3-20H2,1-2H3,(H,25,26)(H,27,28);;/q;+1;-1
InChIKeyYFIFPOXXGKUFBS-UHFFFAOYSA-N
MW422.63 g/mol
LogP4.57
Rot. Bonds21

About sodium;2-(2-heptyltetradecyl)propanedioic acid;hydride

sodium;2-(2-heptyltetradecyl)propanedioic acid;hydride (PubChem CID 175226283) has the molecular formula C24H47NaO4 and a molecular weight of 422.63 g/mol. Its IUPAC name is sodium;2-(2-heptyltetradecyl)propanedioic acid;hydride.

Molecular Properties

Compound Namesodium;2-(2-heptyltetradecyl)propanedioic acid;hydride
PubChem CID175226283
Molecular FormulaC24H47NaO4
Molecular Weight422.63 g/mol
Exact Mass422.34
IUPAC Namesodium;2-(2-heptyltetradecyl)propanedioic acid;hydride
SMILESCCCCCCCCCCCCC(CCCCCCC)CC(C(=O)O)C(=O)O.[H-].[Na+]
InChIInChI=1S/C24H46O4.Na.H/c1-3-5-7-9-10-11-12-13-15-17-19-21(18-16-14-8-6-4-2)20-22(23(25)26)24(27)28;;/h21-22H,3-20H2,1-2H3,(H,25,26)(H,27,28);;/q;+1;-1
InChIKeyYFIFPOXXGKUFBS-UHFFFAOYSA-N
XLogP4.57
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.63
LogP ≤ 54.57
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'}

Analyze sodium;2-(2-heptyltetradecyl)propanedioic acid;hydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium;hydride;2-(2-propyltetradecyl)propanedioic acid
CID 174968853
magnesium;hydride;2-(2-pentyltetradecyl)propanedioic acid
CID 174967520
calcium;2-(2-butyldodecyl)propanedioic acid;hydride
CID 174967651
2-(2-butyltetradecyl)propanedioic acid
CID 174968707
2-(6-ethylpentadecyl)propanedioic acid
CID 87568390
2-(8-methyl-2-propylnonyl)propanedioic acid
CID 18769237
magnesium 2-(2-pentyltetradecyl)propanedioate
CID 175226063
2-decyl-4-hexyldodecanoic acid
CID 23195131
magnesium;2-decylpropanedioic acid;hydride
CID 174968780
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 sodium;2-(2-heptyltetradecyl)propanedioic acid;hydride?
The IUPAC name of sodium;2-(2-heptyltetradecyl)propanedioic acid;hydride (CID 175226283) is sodium;2-(2-heptyltetradecyl)propanedioic acid;hydride.
What is the SMILES notation for sodium;2-(2-heptyltetradecyl)propanedioic acid;hydride?
The canonical SMILES for sodium;2-(2-heptyltetradecyl)propanedioic acid;hydride is CCCCCCCCCCCCC(CCCCCCC)CC(C(=O)O)C(=O)O.[H-].[Na+].
What is the InChIKey of sodium;2-(2-heptyltetradecyl)propanedioic acid;hydride?
The InChIKey is YFIFPOXXGKUFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O4.Na.H/c1-3-5-7-9-10-11-12-13-15-17-19-21(18-16-14-8-6-4-2)20-22(23(25)26)24(27)28;;/h21-22H,3-20H2,1-2H3,(H,25,26)(H,27,28);;/q;+1;-1.
What are the key properties of sodium;2-(2-heptyltetradecyl)propanedioic acid;hydride?
sodium;2-(2-heptyltetradecyl)propanedioic acid;hydride has a molecular weight of 422.63 g/mol, XLogP of 4.57, 21 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-(2-heptyltetradecyl)propanedioic acid;hydride is sourced from PubChem (CID 175226283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).