sodium;hydride;5-tetradecoxyfuran-2-carboxylic acid

C19H33NaO4 — CID 173446967

IUPACsodium;hydride;5-tetradecoxyfuran-2-carboxylic acid
SMILESCCCCCCCCCCCCCCOc1ccc(C(=O)O)o1.[H-].[Na+]
InChIInChI=1S/C19H32O4.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-18-15-14-17(23-18)19(20)21;;/h14-15H,2-13,16H2,1H3,(H,20,21);;/q;+1;-1
InChIKeyGGIZJGJVVDQAEG-UHFFFAOYSA-N
MW348.46 g/mol
LogP3.17
Rot. Bonds15

About sodium;hydride;5-tetradecoxyfuran-2-carboxylic acid

sodium;hydride;5-tetradecoxyfuran-2-carboxylic acid (PubChem CID 173446967) has the molecular formula C19H33NaO4 and a molecular weight of 348.46 g/mol. Its IUPAC name is sodium;hydride;5-tetradecoxyfuran-2-carboxylic acid.

Molecular Properties

Compound Namesodium;hydride;5-tetradecoxyfuran-2-carboxylic acid
PubChem CID173446967
Molecular FormulaC19H33NaO4
Molecular Weight348.46 g/mol
Exact Mass348.23
IUPAC Namesodium;hydride;5-tetradecoxyfuran-2-carboxylic acid
SMILESCCCCCCCCCCCCCCOc1ccc(C(=O)O)o1.[H-].[Na+]
InChIInChI=1S/C19H32O4.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-18-15-14-17(23-18)19(20)21;;/h14-15H,2-13,16H2,1H3,(H,20,21);;/q;+1;-1
InChIKeyGGIZJGJVVDQAEG-UHFFFAOYSA-N
XLogP3.17
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze sodium;hydride;5-tetradecoxyfuran-2-carboxylic acid 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 5-tetradecoxyfuran-2-carboxylate
CID 70609100
1-(5-decoxyfuran-2-yl)ethanone
CID 22152433
dichloromethane;propan-2-yl 5-tetradecoxyfuran-2-carboxylate;5-tetradecoxyfuran-2-carboxylic acid
CID 157100187
5-(3-methoxypropoxy)furan-2-carboxylic acid
CID 62206697
5-(2-ethoxyethoxy)furan-2-carboxylic acid
CID 62205469
5-undec-10-enoxyfuran-2-carboxylic acid
CID 21327076
1-(5-pentadec-9-enoxyfuran-2-yl)ethanone
CID 54484583
5-(2-hydroxyethoxy)furan-2-carboxylic acid
CID 62206874
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]furan-2-carboxylic acid
CID 104560434
5-(tetradecoxymethyl)furan-2-carboxylic acid
CID 22152429
5-(2-propan-2-yloxyethoxy)furan-2-carboxylic acid
CID 62205827
2,3-dihydroxypropyl 5-tetradecoxyfuran-2-carboxylate
CID 169131554

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;5-tetradecoxyfuran-2-carboxylic acid?
The IUPAC name of sodium;hydride;5-tetradecoxyfuran-2-carboxylic acid (CID 173446967) is sodium;hydride;5-tetradecoxyfuran-2-carboxylic acid.
What is the SMILES notation for sodium;hydride;5-tetradecoxyfuran-2-carboxylic acid?
The canonical SMILES for sodium;hydride;5-tetradecoxyfuran-2-carboxylic acid is CCCCCCCCCCCCCCOc1ccc(C(=O)O)o1.[H-].[Na+].
What is the InChIKey of sodium;hydride;5-tetradecoxyfuran-2-carboxylic acid?
The InChIKey is GGIZJGJVVDQAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O4.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-18-15-14-17(23-18)19(20)21;;/h14-15H,2-13,16H2,1H3,(H,20,21);;/q;+1;-1.
What are the key properties of sodium;hydride;5-tetradecoxyfuran-2-carboxylic acid?
sodium;hydride;5-tetradecoxyfuran-2-carboxylic acid has a molecular weight of 348.46 g/mol, XLogP of 3.17, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;5-tetradecoxyfuran-2-carboxylic acid is sourced from PubChem (CID 173446967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).