ethyl hexoxy sulfate

C8H18O5S — CID 174871914

IUPACethyl hexoxy sulfate
SMILESCCCCCCOOS(=O)(=O)OCC
InChIInChI=1S/C8H18O5S/c1-3-5-6-7-8-11-13-14(9,10)12-4-2/h3-8H2,1-2H3
InChIKeyMGDKISMAJIENMB-UHFFFAOYSA-N
MW226.29 g/mol
LogP1.80
Rot. Bonds9

About ethyl hexoxy sulfate

ethyl hexoxy sulfate (PubChem CID 174871914) has the molecular formula C8H18O5S and a molecular weight of 226.29 g/mol. Its IUPAC name is ethyl hexoxy sulfate.

Molecular Properties

Compound Nameethyl hexoxy sulfate
PubChem CID174871914
Molecular FormulaC8H18O5S
Molecular Weight226.29 g/mol
Exact Mass226.09
IUPAC Nameethyl hexoxy sulfate
SMILESCCCCCCOOS(=O)(=O)OCC
InChIInChI=1S/C8H18O5S/c1-3-5-6-7-8-11-13-14(9,10)12-4-2/h3-8H2,1-2H3
InChIKeyMGDKISMAJIENMB-UHFFFAOYSA-N
XLogP1.80
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

2-ethoxyethyl undecoxy sulfate
CID 142735566
CID 88731684
CID 88731684
CID 87817922
CID 87817922
ethyl octyl sulfate
CID 22483719
2-ethoxyethoxy ethyl sulfate
CID 23115694
sodium;1-dodecoxyethoxy ethyl sulfate;hydride
CID 173150182
disodium;dodecyl ethoxy sulfate;1,2,3,4,5,6-hexachlorocyclohexane;hydride
CID 173417436
ditetracosyl sulfate
CID 101286725
pentyl undecyl sulfate
CID 174900896
2-(1-amino-3-oxotetradecoxy)ethoxy ethyl sulfate
CID 175449149
azanium didodecyl sulfate
CID 23617704
magnesium dihexyl sulfate
CID 21125103

Frequently Asked Questions

What is the IUPAC name of ethyl hexoxy sulfate?
The IUPAC name of ethyl hexoxy sulfate (CID 174871914) is ethyl hexoxy sulfate.
What is the SMILES notation for ethyl hexoxy sulfate?
The canonical SMILES for ethyl hexoxy sulfate is CCCCCCOOS(=O)(=O)OCC.
What is the InChIKey of ethyl hexoxy sulfate?
The InChIKey is MGDKISMAJIENMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O5S/c1-3-5-6-7-8-11-13-14(9,10)12-4-2/h3-8H2,1-2H3.
What are the key properties of ethyl hexoxy sulfate?
ethyl hexoxy sulfate has a molecular weight of 226.29 g/mol, XLogP of 1.80, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl hexoxy sulfate is sourced from PubChem (CID 174871914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).