dipentoxy sulfate

C10H22O6S — CID 129285348

IUPACdipentoxy sulfate
SMILESCCCCCOOS(=O)(=O)OOCCCCC
InChIInChI=1S/C10H22O6S/c1-3-5-7-9-13-15-17(11,12)16-14-10-8-6-4-2/h3-10H2,1-2H3
InChIKeyTYSBDSTYJRELGY-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.51
Rot. Bonds12

About dipentoxy sulfate

dipentoxy sulfate (PubChem CID 129285348) has the molecular formula C10H22O6S and a molecular weight of 270.35 g/mol. Its IUPAC name is dipentoxy sulfate.

Molecular Properties

Compound Namedipentoxy sulfate
PubChem CID129285348
Molecular FormulaC10H22O6S
Molecular Weight270.35 g/mol
Exact Mass270.11
IUPAC Namedipentoxy sulfate
SMILESCCCCCOOS(=O)(=O)OOCCCCC
InChIInChI=1S/C10H22O6S/c1-3-5-7-9-13-15-17(11,12)16-14-10-8-6-4-2/h3-10H2,1-2H3
InChIKeyTYSBDSTYJRELGY-UHFFFAOYSA-N
XLogP2.51
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

Sulfuric acid, dibutyl ester
CID 12239
Diamyl Sulfite
CID 137299
Pentyl sulfate
CID 6365119
Diamyl Sulfate
CID 13459933
Dihexyl sulfate
CID 14747182
Methyl n-amyl sulfate
CID 14877087
Ethylhexyl sulfate
CID 21932421
Magnesium dihexyl sulfate
CID 21125103
Sulfurous acid, butyl pentyl ester
CID 6420768
Ethyl pentyl sulfate
CID 14877088
Dipentan-2-yl sulfate
CID 19695162
Dipentyl sulfate;methane
CID 19695165

Frequently Asked Questions

What is the IUPAC name of dipentoxy sulfate?
The IUPAC name of dipentoxy sulfate (CID 129285348) is dipentoxy sulfate.
What is the SMILES notation for dipentoxy sulfate?
The canonical SMILES for dipentoxy sulfate is CCCCCOOS(=O)(=O)OOCCCCC.
What is the InChIKey of dipentoxy sulfate?
The InChIKey is TYSBDSTYJRELGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O6S/c1-3-5-7-9-13-15-17(11,12)16-14-10-8-6-4-2/h3-10H2,1-2H3.
What are the key properties of dipentoxy sulfate?
dipentoxy sulfate has a molecular weight of 270.35 g/mol, XLogP of 2.51, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipentoxy sulfate is sourced from PubChem (CID 129285348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).