sodium;hydride;tetradecyl 2-hydroxyacetate

C16H33NaO3 — CID 174584352

IUPACsodium;hydride;tetradecyl 2-hydroxyacetate
SMILESCCCCCCCCCCCCCCOC(=O)CO.[H-].[Na+]
InChIInChI=1S/C16H32O3.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-16(18)15-17;;/h17H,2-15H2,1H3;;/q;+1;-1
InChIKeyJMTIZPJSVAYSFP-UHFFFAOYSA-N
MW296.43 g/mol
LogP1.34
Rot. Bonds14

About sodium;hydride;tetradecyl 2-hydroxyacetate

sodium;hydride;tetradecyl 2-hydroxyacetate (PubChem CID 174584352) has the molecular formula C16H33NaO3 and a molecular weight of 296.43 g/mol. Its IUPAC name is sodium;hydride;tetradecyl 2-hydroxyacetate.

Molecular Properties

Compound Namesodium;hydride;tetradecyl 2-hydroxyacetate
PubChem CID174584352
Molecular FormulaC16H33NaO3
Molecular Weight296.43 g/mol
Exact Mass296.23
IUPAC Namesodium;hydride;tetradecyl 2-hydroxyacetate
SMILESCCCCCCCCCCCCCCOC(=O)CO.[H-].[Na+]
InChIInChI=1S/C16H32O3.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-16(18)15-17;;/h17H,2-15H2,1H3;;/q;+1;-1
InChIKeyJMTIZPJSVAYSFP-UHFFFAOYSA-N
XLogP1.34
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.43
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hexacosyl 2-hydroxyacetate
CID 156789960
CID 87119570
CID 87119570
magnesium;butyl 2-hydroxyacetate;hydride
CID 173215691
6-butoxyhexyl 2-hydroxyacetate
CID 151151015
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;tridecyl 2-hydroxyacetate
CID 159507020
6-hydroxytridecyl 2-hydroxyacetate
CID 121405219
sodium;hydride;octadecyl hexadecanoate
CID 174467496
sodium;dodecyl 2-chloroacetate;hydride
CID 175130022
butane;dodecyl butanoate
CID 91569021
dihexadecyl butanedioate
CID 3572854
1-O-dodecyl 4-O-octadecyl butanedioate
CID 151076861
1-O-octyl 4-O-undecyl butanedioate
CID 91702141

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;tetradecyl 2-hydroxyacetate?
The IUPAC name of sodium;hydride;tetradecyl 2-hydroxyacetate (CID 174584352) is sodium;hydride;tetradecyl 2-hydroxyacetate.
What is the SMILES notation for sodium;hydride;tetradecyl 2-hydroxyacetate?
The canonical SMILES for sodium;hydride;tetradecyl 2-hydroxyacetate is CCCCCCCCCCCCCCOC(=O)CO.[H-].[Na+].
What is the InChIKey of sodium;hydride;tetradecyl 2-hydroxyacetate?
The InChIKey is JMTIZPJSVAYSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-16(18)15-17;;/h17H,2-15H2,1H3;;/q;+1;-1.
What are the key properties of sodium;hydride;tetradecyl 2-hydroxyacetate?
sodium;hydride;tetradecyl 2-hydroxyacetate has a molecular weight of 296.43 g/mol, XLogP of 1.34, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;tetradecyl 2-hydroxyacetate is sourced from PubChem (CID 174584352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).