2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethyl hydrogen sulfate

C17H36O8S — CID 21351862

IUPAC2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethyl hydrogen sulfate
SMILESCCCCCCCCCOCCOCCOCCOCCOS(=O)(=O)O
InChIInChI=1S/C17H36O8S/c1-2-3-4-5-6-7-8-9-21-10-11-22-12-13-23-14-15-24-16-17-25-26(18,19)20/h2-17H2,1H3,(H,18,19,20)
InChIKeyZFQIRWNQUXJHDS-UHFFFAOYSA-N
MW400.53 g/mol
LogP2.62
Rot. Bonds21

About 2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethyl hydrogen sulfate

2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethyl hydrogen sulfate (PubChem CID 21351862) has the molecular formula C17H36O8S and a molecular weight of 400.53 g/mol. Its IUPAC name is 2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethyl hydrogen sulfate.

Molecular Properties

Compound Name2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethyl hydrogen sulfate
PubChem CID21351862
Molecular FormulaC17H36O8S
Molecular Weight400.53 g/mol
Exact Mass400.21
IUPAC Name2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethyl hydrogen sulfate
SMILESCCCCCCCCCOCCOCCOCCOCCOS(=O)(=O)O
InChIInChI=1S/C17H36O8S/c1-2-3-4-5-6-7-8-9-21-10-11-22-12-13-23-14-15-24-16-17-25-26(18,19)20/h2-17H2,1H3,(H,18,19,20)
InChIKeyZFQIRWNQUXJHDS-UHFFFAOYSA-N
XLogP2.62
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 52.62
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-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
4-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]butyl hydrogen sulfate
CID 87407743
2-[2-(2-butoxyethoxy)ethoxy]ethyl hydrogen sulfate
CID 150612301
2-[2,2-bis(dodecoxymethyl)-3-(2-sulfooxyethoxy)propoxy]ethyl hydrogen sulfate
CID 90831660
2-[2-(2-sulfooxyethoxymethyl)-3-tetradecoxy-2-(tetradecoxymethyl)propoxy]ethyl hydrogen sulfate
CID 90894715
2-octadec-9-enoxyethyl hydrogen sulfate
CID 73000898
calcium;2-butoxyethyl hydrogen sulfate;hydride
CID 173344418
decyl hydrogen sulfate;dodecyl hydrogen sulfate
CID 87746197

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethyl hydrogen sulfate?
The IUPAC name of 2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethyl hydrogen sulfate (CID 21351862) is 2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethyl hydrogen sulfate.
What is the SMILES notation for 2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethyl hydrogen sulfate?
The canonical SMILES for 2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethyl hydrogen sulfate is CCCCCCCCCOCCOCCOCCOCCOS(=O)(=O)O.
What is the InChIKey of 2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethyl hydrogen sulfate?
The InChIKey is ZFQIRWNQUXJHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O8S/c1-2-3-4-5-6-7-8-9-21-10-11-22-12-13-23-14-15-24-16-17-25-26(18,19)20/h2-17H2,1H3,(H,18,19,20).
What are the key properties of 2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethyl hydrogen sulfate?
2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethyl hydrogen sulfate has a molecular weight of 400.53 g/mol, XLogP of 2.62, 21 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethyl hydrogen sulfate is sourced from PubChem (CID 21351862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).