2-[bis(2-hydroxyethoxy)amino]oxyethanol;dodecane;ethene;sulfuric acid;hydrate

C20H49NO11S — CID 174843406

IUPAC2-[bis(2-hydroxyethoxy)amino]oxyethanol;dodecane;ethene;sulfuric acid;hydrate
SMILESC=C.CCCCCCCCCCCC.O.O=S(=O)(O)O.OCCON(OCCO)OCCO
InChIInChI=1S/C12H26.C6H15NO6.C2H4.H2O4S.H2O/c1-3-5-7-9-11-12-10-8-6-4-2;8-1-4-11-7(12-5-2-9)13-6-3-10;1-2;1-5(2,3)4;/h3-12H2,1-2H3;8-10H,1-6H2;1-2H2;(H2,1,2,3,4);1H2
InChIKeyNHIDDLKMWANWGV-UHFFFAOYSA-N
MW511.68 g/mol
LogP2.31
Rot. Bonds18

About 2-[bis(2-hydroxyethoxy)amino]oxyethanol;dodecane;ethene;sulfuric acid;hydrate

2-[bis(2-hydroxyethoxy)amino]oxyethanol;dodecane;ethene;sulfuric acid;hydrate (PubChem CID 174843406) has the molecular formula C20H49NO11S and a molecular weight of 511.68 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethoxy)amino]oxyethanol;dodecane;ethene;sulfuric acid;hydrate.

Molecular Properties

Compound Name2-[bis(2-hydroxyethoxy)amino]oxyethanol;dodecane;ethene;sulfuric acid;hydrate
PubChem CID174843406
Molecular FormulaC20H49NO11S
Molecular Weight511.68 g/mol
Exact Mass511.30
IUPAC Name2-[bis(2-hydroxyethoxy)amino]oxyethanol;dodecane;ethene;sulfuric acid;hydrate
SMILESC=C.CCCCCCCCCCCC.O.O=S(=O)(O)O.OCCON(OCCO)OCCO
InChIInChI=1S/C12H26.C6H15NO6.C2H4.H2O4S.H2O/c1-3-5-7-9-11-12-10-8-6-4-2;8-1-4-11-7(12-5-2-9)13-6-3-10;1-2;1-5(2,3)4;/h3-12H2,1-2H3;8-10H,1-6H2;1-2H2;(H2,1,2,3,4);1H2
InChIKeyNHIDDLKMWANWGV-UHFFFAOYSA-N
XLogP2.31
TPSA197.72 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.68
LogP ≤ 52.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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CID 174656108
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sulfuric acid;tetradecane;tetradecan-1-ol;hydrate
CID 174900097
2-hexoxyethanol;sulfuric acid
CID 87749798
2-[bis(2-hydroxyethoxy)amino]oxyethanol;dinonyl hydrogen phosphate
CID 173390920
magnesium;dodecan-1-ol;hydride;sulfuric acid
CID 174836259
sodium;bis(dodecane);ethanol;hydride;sulfuric acid
CID 175019584
sulfuric acid;tetradecan-1-ol
CID 87699970
sodium;hydride;sulfuric acid;undecane
CID 172996516
sulfuric acid;tridecane
CID 91872702
sodium;hydride;pentan-1-ol;sulfuric acid
CID 175097757
octan-1-ol;sulfuric acid;zinc
CID 174737842

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethoxy)amino]oxyethanol;dodecane;ethene;sulfuric acid;hydrate?
The IUPAC name of 2-[bis(2-hydroxyethoxy)amino]oxyethanol;dodecane;ethene;sulfuric acid;hydrate (CID 174843406) is 2-[bis(2-hydroxyethoxy)amino]oxyethanol;dodecane;ethene;sulfuric acid;hydrate.
What is the SMILES notation for 2-[bis(2-hydroxyethoxy)amino]oxyethanol;dodecane;ethene;sulfuric acid;hydrate?
The canonical SMILES for 2-[bis(2-hydroxyethoxy)amino]oxyethanol;dodecane;ethene;sulfuric acid;hydrate is C=C.CCCCCCCCCCCC.O.O=S(=O)(O)O.OCCON(OCCO)OCCO.
What is the InChIKey of 2-[bis(2-hydroxyethoxy)amino]oxyethanol;dodecane;ethene;sulfuric acid;hydrate?
The InChIKey is NHIDDLKMWANWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26.C6H15NO6.C2H4.H2O4S.H2O/c1-3-5-7-9-11-12-10-8-6-4-2;8-1-4-11-7(12-5-2-9)13-6-3-10;1-2;1-5(2,3)4;/h3-12H2,1-2H3;8-10H,1-6H2;1-2H2;(H2,1,2,3,4);1H2.
What are the key properties of 2-[bis(2-hydroxyethoxy)amino]oxyethanol;dodecane;ethene;sulfuric acid;hydrate?
2-[bis(2-hydroxyethoxy)amino]oxyethanol;dodecane;ethene;sulfuric acid;hydrate has a molecular weight of 511.68 g/mol, XLogP of 2.31, 18 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethoxy)amino]oxyethanol;dodecane;ethene;sulfuric acid;hydrate is sourced from PubChem (CID 174843406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).