2-[2-(2-octadecan-9-yloxyethoxy)ethoxy]ethyl hydrogen sulfate

C24H50O7S — CID 118576673

IUPAC2-[2-(2-octadecan-9-yloxyethoxy)ethoxy]ethyl hydrogen sulfate
SMILESCCCCCCCCCC(CCCCCCCC)OCCOCCOCCOS(=O)(=O)O
InChIInChI=1S/C24H50O7S/c1-3-5-7-9-11-13-15-17-24(16-14-12-10-8-6-4-2)30-22-20-28-18-19-29-21-23-31-32(25,26)27/h24H,3-23H2,1-2H3,(H,25,26,27)
InChIKeyVIWKNFWESNTNCF-UHFFFAOYSA-N
MW482.72 g/mol
LogP6.12
Rot. Bonds26

About 2-[2-(2-octadecan-9-yloxyethoxy)ethoxy]ethyl hydrogen sulfate

2-[2-(2-octadecan-9-yloxyethoxy)ethoxy]ethyl hydrogen sulfate (PubChem CID 118576673) has the molecular formula C24H50O7S and a molecular weight of 482.72 g/mol. Its IUPAC name is 2-[2-(2-octadecan-9-yloxyethoxy)ethoxy]ethyl hydrogen sulfate.

Molecular Properties

Compound Name2-[2-(2-octadecan-9-yloxyethoxy)ethoxy]ethyl hydrogen sulfate
PubChem CID118576673
Molecular FormulaC24H50O7S
Molecular Weight482.72 g/mol
Exact Mass482.33
IUPAC Name2-[2-(2-octadecan-9-yloxyethoxy)ethoxy]ethyl hydrogen sulfate
SMILESCCCCCCCCCC(CCCCCCCC)OCCOCCOCCOS(=O)(=O)O
InChIInChI=1S/C24H50O7S/c1-3-5-7-9-11-13-15-17-24(16-14-12-10-8-6-4-2)30-22-20-28-18-19-29-21-23-31-32(25,26)27/h24H,3-23H2,1-2H3,(H,25,26,27)
InChIKeyVIWKNFWESNTNCF-UHFFFAOYSA-N
XLogP6.12
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds26
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.72
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
CID 14151438
2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethyl hydrogen sulfate
CID 21351862
2-(2-octadecoxyethoxy)ethyl hydrogen sulfate
CID 100956617
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
CID 11274827
sodium 2-dodecoxyethyl hydrogen sulfate
CID 23618880
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-tridecan-6-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 87268686
CID 171000795
CID 171000795
4-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]butyl hydrogen sulfate
CID 87407743
azanium 2-octadecan-9-yloxyethyl sulfate
CID 118576701
2-[2-(2-butoxyethoxy)ethoxy]ethyl hydrogen sulfate
CID 150612301
2-dodec-1-en-3-yloxyethyl hydrogen sulfate
CID 87607745
dodecan-1-ol;2-[2-(2-hydroxyethoxy)ethoxy]ethyl hydrogen sulfate
CID 88766044

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-octadecan-9-yloxyethoxy)ethoxy]ethyl hydrogen sulfate?
The IUPAC name of 2-[2-(2-octadecan-9-yloxyethoxy)ethoxy]ethyl hydrogen sulfate (CID 118576673) is 2-[2-(2-octadecan-9-yloxyethoxy)ethoxy]ethyl hydrogen sulfate.
What is the SMILES notation for 2-[2-(2-octadecan-9-yloxyethoxy)ethoxy]ethyl hydrogen sulfate?
The canonical SMILES for 2-[2-(2-octadecan-9-yloxyethoxy)ethoxy]ethyl hydrogen sulfate is CCCCCCCCCC(CCCCCCCC)OCCOCCOCCOS(=O)(=O)O.
What is the InChIKey of 2-[2-(2-octadecan-9-yloxyethoxy)ethoxy]ethyl hydrogen sulfate?
The InChIKey is VIWKNFWESNTNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O7S/c1-3-5-7-9-11-13-15-17-24(16-14-12-10-8-6-4-2)30-22-20-28-18-19-29-21-23-31-32(25,26)27/h24H,3-23H2,1-2H3,(H,25,26,27).
What are the key properties of 2-[2-(2-octadecan-9-yloxyethoxy)ethoxy]ethyl hydrogen sulfate?
2-[2-(2-octadecan-9-yloxyethoxy)ethoxy]ethyl hydrogen sulfate has a molecular weight of 482.72 g/mol, XLogP of 6.12, 26 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-octadecan-9-yloxyethoxy)ethoxy]ethyl hydrogen sulfate is sourced from PubChem (CID 118576673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).