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

C10H22O7S — CID 150612301

IUPAC2-[2-(2-butoxyethoxy)ethoxy]ethyl hydrogen sulfate
SMILESCCCCOCCOCCOCCOS(=O)(=O)O
InChIInChI=1S/C10H22O7S/c1-2-3-4-14-5-6-15-7-8-16-9-10-17-18(11,12)13/h2-10H2,1H3,(H,11,12,13)
InChIKeyIUDSTHHZFIHXLI-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.66
Rot. Bonds13

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

2-[2-(2-butoxyethoxy)ethoxy]ethyl hydrogen sulfate (PubChem CID 150612301) has the molecular formula C10H22O7S and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-[2-(2-butoxyethoxy)ethoxy]ethyl hydrogen sulfate.

Molecular Properties

Compound Name2-[2-(2-butoxyethoxy)ethoxy]ethyl hydrogen sulfate
PubChem CID150612301
Molecular FormulaC10H22O7S
Molecular Weight286.35 g/mol
Exact Mass286.11
IUPAC Name2-[2-(2-butoxyethoxy)ethoxy]ethyl hydrogen sulfate
SMILESCCCCOCCOCCOCCOS(=O)(=O)O
InChIInChI=1S/C10H22O7S/c1-2-3-4-14-5-6-15-7-8-16-9-10-17-18(11,12)13/h2-10H2,1H3,(H,11,12,13)
InChIKeyIUDSTHHZFIHXLI-UHFFFAOYSA-N
XLogP0.66
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.66
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

calcium;2-butoxyethyl hydrogen sulfate;hydride
CID 173344418
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
4-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]butyl hydrogen sulfate
CID 87407743
butyl hydrogen sulfate;phosphane
CID 173112718
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
butyl hydrogen sulfate;ethoxyethane
CID 89261917

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-butoxyethoxy)ethoxy]ethyl hydrogen sulfate?
The IUPAC name of 2-[2-(2-butoxyethoxy)ethoxy]ethyl hydrogen sulfate (CID 150612301) is 2-[2-(2-butoxyethoxy)ethoxy]ethyl hydrogen sulfate.
What is the SMILES notation for 2-[2-(2-butoxyethoxy)ethoxy]ethyl hydrogen sulfate?
The canonical SMILES for 2-[2-(2-butoxyethoxy)ethoxy]ethyl hydrogen sulfate is CCCCOCCOCCOCCOS(=O)(=O)O.
What is the InChIKey of 2-[2-(2-butoxyethoxy)ethoxy]ethyl hydrogen sulfate?
The InChIKey is IUDSTHHZFIHXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O7S/c1-2-3-4-14-5-6-15-7-8-16-9-10-17-18(11,12)13/h2-10H2,1H3,(H,11,12,13).
What are the key properties of 2-[2-(2-butoxyethoxy)ethoxy]ethyl hydrogen sulfate?
2-[2-(2-butoxyethoxy)ethoxy]ethyl hydrogen sulfate has a molecular weight of 286.35 g/mol, XLogP of 0.66, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-butoxyethoxy)ethoxy]ethyl hydrogen sulfate is sourced from PubChem (CID 150612301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).