4-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]butyl hydrogen sulfate

C20H42O8S — CID 87407743

IUPAC4-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]butyl hydrogen sulfate
SMILESCCCCCCCCCCOCCOCCOCCOCCCCOS(=O)(=O)O
InChIInChI=1S/C20H42O8S/c1-2-3-4-5-6-7-8-9-12-24-15-17-26-19-20-27-18-16-25-13-10-11-14-28-29(21,22)23/h2-20H2,1H3,(H,21,22,23)
InChIKeyUXGRXCRHOLXHOE-UHFFFAOYSA-N
MW442.62 g/mol
LogP3.79
Rot. Bonds24

About 4-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]butyl hydrogen sulfate

4-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]butyl hydrogen sulfate (PubChem CID 87407743) has the molecular formula C20H42O8S and a molecular weight of 442.62 g/mol. Its IUPAC name is 4-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]butyl hydrogen sulfate.

Molecular Properties

Compound Name4-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]butyl hydrogen sulfate
PubChem CID87407743
Molecular FormulaC20H42O8S
Molecular Weight442.62 g/mol
Exact Mass442.26
IUPAC Name4-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]butyl hydrogen sulfate
SMILESCCCCCCCCCCOCCOCCOCCOCCCCOS(=O)(=O)O
InChIInChI=1S/C20H42O8S/c1-2-3-4-5-6-7-8-9-12-24-15-17-26-19-20-27-18-16-25-13-10-11-14-28-29(21,22)23/h2-20H2,1H3,(H,21,22,23)
InChIKeyUXGRXCRHOLXHOE-UHFFFAOYSA-N
XLogP3.79
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.62
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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
CID 171000795
CID 171000795
decyl hydrogen sulfate;dodecyl hydrogen sulfate
CID 87746197
Sodiumn-tridecylsulphate
CID 131877406
CID 87182380
CID 87182380
azanium decyl hydrogen sulfate
CID 21115891
CID 170845374
CID 170845374
magnesium icosyl hydrogen sulfate
CID 21125099

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]butyl hydrogen sulfate?
The IUPAC name of 4-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]butyl hydrogen sulfate (CID 87407743) is 4-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]butyl hydrogen sulfate.
What is the SMILES notation for 4-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]butyl hydrogen sulfate?
The canonical SMILES for 4-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]butyl hydrogen sulfate is CCCCCCCCCCOCCOCCOCCOCCCCOS(=O)(=O)O.
What is the InChIKey of 4-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]butyl hydrogen sulfate?
The InChIKey is UXGRXCRHOLXHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O8S/c1-2-3-4-5-6-7-8-9-12-24-15-17-26-19-20-27-18-16-25-13-10-11-14-28-29(21,22)23/h2-20H2,1H3,(H,21,22,23).
What are the key properties of 4-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]butyl hydrogen sulfate?
4-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]butyl hydrogen sulfate has a molecular weight of 442.62 g/mol, XLogP of 3.79, 24 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]butyl hydrogen sulfate is sourced from PubChem (CID 87407743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).