butyl hydrogen sulfate;ethoxyethane

C8H20O5S — CID 89261917

IUPACbutyl hydrogen sulfate;ethoxyethane
SMILESCCCCOS(=O)(=O)O.CCOCC
InChIInChI=1S/C4H10O4S.C4H10O/c1-2-3-4-8-9(5,6)7;1-3-5-4-2/h2-4H2,1H3,(H,5,6,7);3-4H2,1-2H3
InChIKeyVDDHSGCHIUMWJG-UHFFFAOYSA-N
MW228.31 g/mol
LogP1.65
Rot. Bonds6

About butyl hydrogen sulfate;ethoxyethane

butyl hydrogen sulfate;ethoxyethane (PubChem CID 89261917) has the molecular formula C8H20O5S and a molecular weight of 228.31 g/mol. Its IUPAC name is butyl hydrogen sulfate;ethoxyethane.

Molecular Properties

Compound Namebutyl hydrogen sulfate;ethoxyethane
PubChem CID89261917
Molecular FormulaC8H20O5S
Molecular Weight228.31 g/mol
Exact Mass228.10
IUPAC Namebutyl hydrogen sulfate;ethoxyethane
SMILESCCCCOS(=O)(=O)O.CCOCC
InChIInChI=1S/C4H10O4S.C4H10O/c1-2-3-4-8-9(5,6)7;1-3-5-4-2/h2-4H2,1H3,(H,5,6,7);3-4H2,1-2H3
InChIKeyVDDHSGCHIUMWJG-UHFFFAOYSA-N
XLogP1.65
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

butyl hydrogen sulfate;phosphane
CID 173112718
dodecyl hydrogen sulfate;ethane-1,2-diol;ethoxyethane
CID 88692322
sodium;azane;dodecyl hydrogen sulfate;ethoxyethane;hydride
CID 173357441
butyl hydrogen sulfate;heptane
CID 175360663
butyl hydrogen sulfate;hydrazine
CID 88762415
ethane-1,2-diol;ethene;ethoxyethane;nonyl hydrogen sulfate
CID 173151121
ethane-1,2-diol;ethene;ethoxyethane;nonyl hydrogen sulfate
CID 173151116
ethane-1,2-diol;ethene;ethoxyethane;hexyl hydrogen sulfate
CID 173151171
2-[2-(2-butoxyethoxy)ethoxy]ethyl hydrogen sulfate
CID 150612301
ethoxyethane;hexyl hydrogen sulfate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 87749418
decyl hydrogen sulfate;dodecyl hydrogen sulfate
CID 87746197
dodecyl hydrogen sulfate;ethoxyethane;octadecanoic acid
CID 87988893

Frequently Asked Questions

What is the IUPAC name of butyl hydrogen sulfate;ethoxyethane?
The IUPAC name of butyl hydrogen sulfate;ethoxyethane (CID 89261917) is butyl hydrogen sulfate;ethoxyethane.
What is the SMILES notation for butyl hydrogen sulfate;ethoxyethane?
The canonical SMILES for butyl hydrogen sulfate;ethoxyethane is CCCCOS(=O)(=O)O.CCOCC.
What is the InChIKey of butyl hydrogen sulfate;ethoxyethane?
The InChIKey is VDDHSGCHIUMWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O4S.C4H10O/c1-2-3-4-8-9(5,6)7;1-3-5-4-2/h2-4H2,1H3,(H,5,6,7);3-4H2,1-2H3.
What are the key properties of butyl hydrogen sulfate;ethoxyethane?
butyl hydrogen sulfate;ethoxyethane has a molecular weight of 228.31 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl hydrogen sulfate;ethoxyethane is sourced from PubChem (CID 89261917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).