butyl sulfooxy sulfate

C4H10O8S2 — CID 174944783

IUPACbutyl sulfooxy sulfate
SMILESCCCCOS(=O)(=O)OOS(=O)(=O)O
InChIInChI=1S/C4H10O8S2/c1-2-3-4-10-14(8,9)12-11-13(5,6)7/h2-4H2,1H3,(H,5,6,7)
InChIKeyUIZYMCGFECHOBZ-UHFFFAOYSA-N
MW250.25 g/mol
LogP-0.20
Rot. Bonds7

About butyl sulfooxy sulfate

butyl sulfooxy sulfate (PubChem CID 174944783) has the molecular formula C4H10O8S2 and a molecular weight of 250.25 g/mol. Its IUPAC name is butyl sulfooxy sulfate.

Molecular Properties

Compound Namebutyl sulfooxy sulfate
PubChem CID174944783
Molecular FormulaC4H10O8S2
Molecular Weight250.25 g/mol
Exact Mass249.98
IUPAC Namebutyl sulfooxy sulfate
SMILESCCCCOS(=O)(=O)OOS(=O)(=O)O
InChIInChI=1S/C4H10O8S2/c1-2-3-4-10-14(8,9)12-11-13(5,6)7/h2-4H2,1H3,(H,5,6,7)
InChIKeyUIZYMCGFECHOBZ-UHFFFAOYSA-N
XLogP-0.20
TPSA116.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze butyl sulfooxy sulfate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hexyl sulfooxy sulfate
CID 175322750
butyl hydrogen sulfate;phosphane
CID 173112718
butyl hydrogen sulfate;heptane
CID 175360663
butyl hydrogen sulfate;hydrazine
CID 88762415
butyl hexadecyl sulfate
CID 174632644
butyl hydrogen sulfate;ethoxyethane
CID 89261917
decyl hydrogen sulfate;dodecyl hydrogen sulfate
CID 87746197
sodium;didodecyl sulfate;hydride;sulfuric acid
CID 174107474
pentyl undecyl sulfate
CID 174900896
ditetracosyl sulfate
CID 101286725
bis[3-(2-butoxyethoxy)propyl] sulfate
CID 139845241
Sodiumn-tridecylsulphate
CID 131877406

Frequently Asked Questions

What is the IUPAC name of butyl sulfooxy sulfate?
The IUPAC name of butyl sulfooxy sulfate (CID 174944783) is butyl sulfooxy sulfate.
What is the SMILES notation for butyl sulfooxy sulfate?
The canonical SMILES for butyl sulfooxy sulfate is CCCCOS(=O)(=O)OOS(=O)(=O)O.
What is the InChIKey of butyl sulfooxy sulfate?
The InChIKey is UIZYMCGFECHOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O8S2/c1-2-3-4-10-14(8,9)12-11-13(5,6)7/h2-4H2,1H3,(H,5,6,7).
What are the key properties of butyl sulfooxy sulfate?
butyl sulfooxy sulfate has a molecular weight of 250.25 g/mol, XLogP of -0.20, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for butyl sulfooxy sulfate is sourced from PubChem (CID 174944783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).