1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexane;1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-hexoxyethanol;sulfuric acid

C40H86O19S — CID 90068233

IUPAC1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexane;1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-hexoxyethanol;sulfuric acid
SMILESCCCCCCOCC(O)OCCOCCOCCOCCOCCOCC.CCCCCCOCCOCCOCCOCCOCCOCCOCC.O=S(=O)(O)O
InChIInChI=1S/C20H42O8.C20H42O7.H2O4S/c1-3-5-6-7-8-27-19-20(21)28-18-17-26-16-15-25-14-13-24-12-11-23-10-9-22-4-2;1-3-5-6-7-8-22-11-12-24-15-16-26-19-20-27-18-17-25-14-13-23-10-9-21-4-2;1-5(2,3)4/h20-21H,3-19H2,1-2H3;3-20H2,1-2H3;(H2,1,2,3,4)
InChIKeyIDOPXUWMNAPVSY-UHFFFAOYSA-N
MW903.18 g/mol
LogP4.07
Rot. Bonds48

About 1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexane;1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-hexoxyethanol;sulfuric acid

1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexane;1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-hexoxyethanol;sulfuric acid (PubChem CID 90068233) has the molecular formula C40H86O19S and a molecular weight of 903.18 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexane;1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-hexoxyethanol;sulfuric acid.

Molecular Properties

Compound Name1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexane;1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-hexoxyethanol;sulfuric acid
PubChem CID90068233
Molecular FormulaC40H86O19S
Molecular Weight903.18 g/mol
Exact Mass902.55
IUPAC Name1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexane;1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-hexoxyethanol;sulfuric acid
SMILESCCCCCCOCC(O)OCCOCCOCCOCCOCCOCC.CCCCCCOCCOCCOCCOCCOCCOCCOCC.O=S(=O)(O)O
InChIInChI=1S/C20H42O8.C20H42O7.H2O4S/c1-3-5-6-7-8-27-19-20(21)28-18-17-26-16-15-25-14-13-24-12-11-23-10-9-22-4-2;1-3-5-6-7-8-22-11-12-24-15-16-26-19-20-27-18-17-25-14-13-23-10-9-21-4-2;1-5(2,3)4/h20-21H,3-19H2,1-2H3;3-20H2,1-2H3;(H2,1,2,3,4)
InChIKeyIDOPXUWMNAPVSY-UHFFFAOYSA-N
XLogP4.07
TPSA224.05 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds48
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500903.18
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexane;1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-hexoxyethanol;sulfuric acid with MolForge

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Related Compounds

1-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-hexoxyethanol
CID 90068149
2-ethoxy-1-[2-(2-ethoxyethoxy)ethoxy]ethanol
CID 88518191
2-[2-(2-hydroxyethoxy)ethoxy]-1-pentadecoxyethanol
CID 158422063
1-dodecoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 87802257
1-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tridecan-1-ol
CID 175685028
azane;sulfuric acid;1-undecoxyundecane
CID 174702560
1-(2-ethoxyethoxy)-2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 151784602
1-(2-heptadecoxyethoxy)hexadecan-1-ol
CID 164522855
1-(2-octoxyethoxy)butan-2-yl hydrogen sulfate
CID 101020272
potassium;hydride;1-octadecoxyoctadecane;sulfuric acid
CID 173372797
sodium;hydride;sulfuric acid;1-tetradecoxytetradecane
CID 173005905
1-butoxyoctane;sulfuric acid;zinc
CID 175286221

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexane;1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-hexoxyethanol;sulfuric acid?
The IUPAC name of 1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexane;1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-hexoxyethanol;sulfuric acid (CID 90068233) is 1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexane;1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-hexoxyethanol;sulfuric acid.
What is the SMILES notation for 1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexane;1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-hexoxyethanol;sulfuric acid?
The canonical SMILES for 1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexane;1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-hexoxyethanol;sulfuric acid is CCCCCCOCC(O)OCCOCCOCCOCCOCCOCC.CCCCCCOCCOCCOCCOCCOCCOCCOCC.O=S(=O)(O)O.
What is the InChIKey of 1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexane;1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-hexoxyethanol;sulfuric acid?
The InChIKey is IDOPXUWMNAPVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O8.C20H42O7.H2O4S/c1-3-5-6-7-8-27-19-20(21)28-18-17-26-16-15-25-14-13-24-12-11-23-10-9-22-4-2;1-3-5-6-7-8-22-11-12-24-15-16-26-19-20-27-18-17-25-14-13-23-10-9-21-4-2;1-5(2,3)4/h20-21H,3-19H2,1-2H3;3-20H2,1-2H3;(H2,1,2,3,4).
What are the key properties of 1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexane;1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-hexoxyethanol;sulfuric acid?
1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexane;1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-hexoxyethanol;sulfuric acid has a molecular weight of 903.18 g/mol, XLogP of 4.07, 48 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexane;1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-hexoxyethanol;sulfuric acid is sourced from PubChem (CID 90068233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).