sodium;hydride;2-hydroxyethyl dodecanoate

C14H29NaO3 — CID 173434676

IUPACsodium;hydride;2-hydroxyethyl dodecanoate
SMILESCCCCCCCCCCCC(=O)OCCO.[H-].[Na+]
InChIInChI=1S/C14H28O3.Na.H/c1-2-3-4-5-6-7-8-9-10-11-14(16)17-13-12-15;;/h15H,2-13H2,1H3;;/q;+1;-1
InChIKeyGDNPJJBNSNIKHO-UHFFFAOYSA-N
MW268.37 g/mol
LogP0.56
Rot. Bonds12

About sodium;hydride;2-hydroxyethyl dodecanoate

sodium;hydride;2-hydroxyethyl dodecanoate (PubChem CID 173434676) has the molecular formula C14H29NaO3 and a molecular weight of 268.37 g/mol. Its IUPAC name is sodium;hydride;2-hydroxyethyl dodecanoate.

Molecular Properties

Compound Namesodium;hydride;2-hydroxyethyl dodecanoate
PubChem CID173434676
Molecular FormulaC14H29NaO3
Molecular Weight268.37 g/mol
Exact Mass268.20
IUPAC Namesodium;hydride;2-hydroxyethyl dodecanoate
SMILESCCCCCCCCCCCC(=O)OCCO.[H-].[Na+]
InChIInChI=1S/C14H28O3.Na.H/c1-2-3-4-5-6-7-8-9-10-11-14(16)17-13-12-15;;/h15H,2-13H2,1H3;;/q;+1;-1
InChIKeyGDNPJJBNSNIKHO-UHFFFAOYSA-N
XLogP0.56
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.37
LogP ≤ 50.56
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

ethene;2-hydroxyethyl hexadecanoate
CID 87221064
sodium;2-dodecanoyloxyethyl octadecanoate;hydride
CID 174887882
ethoxyethane;2-hydroxyethyl dodecanoate
CID 87130982
ethoxyethane;2-hydroxyethyl docosanoate
CID 121301688
sodium;hydride;octadecyl hexadecanoate
CID 174467496
1-O-butyl 6-O-(2-hydroxyethyl) hexanedioate
CID 87069047
ethane-1,2-diol;propyl octadecanoate
CID 87479973
ethanol;2-octadecanoyloxyethyl octadecanoate
CID 161101673
bis(2-tetradecanoyloxyethyl) decanedioate
CID 176638413
2-henicosanoyloxyethyl henicosanoate
CID 54483902
bis(2-hydroxyethyl) heptanedioate
CID 58519890
bis(2-hydroxyethyl) decanedioate
CID 14094566

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-hydroxyethyl dodecanoate?
The IUPAC name of sodium;hydride;2-hydroxyethyl dodecanoate (CID 173434676) is sodium;hydride;2-hydroxyethyl dodecanoate.
What is the SMILES notation for sodium;hydride;2-hydroxyethyl dodecanoate?
The canonical SMILES for sodium;hydride;2-hydroxyethyl dodecanoate is CCCCCCCCCCCC(=O)OCCO.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-hydroxyethyl dodecanoate?
The InChIKey is GDNPJJBNSNIKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3.Na.H/c1-2-3-4-5-6-7-8-9-10-11-14(16)17-13-12-15;;/h15H,2-13H2,1H3;;/q;+1;-1.
What are the key properties of sodium;hydride;2-hydroxyethyl dodecanoate?
sodium;hydride;2-hydroxyethyl dodecanoate has a molecular weight of 268.37 g/mol, XLogP of 0.56, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-hydroxyethyl dodecanoate is sourced from PubChem (CID 173434676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).