ethyl octyl sulfate

C10H22O4S — CID 22483719

IUPACethyl octyl sulfate
SMILESCCCCCCCCOS(=O)(=O)OCC
InChIInChI=1S/C10H22O4S/c1-3-5-6-7-8-9-10-14-15(11,12)13-4-2/h3-10H2,1-2H3
InChIKeyPVAWVKKMOVQQRO-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.64
Rot. Bonds10

About ethyl octyl sulfate

ethyl octyl sulfate (PubChem CID 22483719) has the molecular formula C10H22O4S and a molecular weight of 238.35 g/mol. Its IUPAC name is ethyl octyl sulfate.

Molecular Properties

Compound Nameethyl octyl sulfate
PubChem CID22483719
Molecular FormulaC10H22O4S
Molecular Weight238.35 g/mol
Exact Mass238.12
IUPAC Nameethyl octyl sulfate
SMILESCCCCCCCCOS(=O)(=O)OCC
InChIInChI=1S/C10H22O4S/c1-3-5-6-7-8-9-10-14-15(11,12)13-4-2/h3-10H2,1-2H3
InChIKeyPVAWVKKMOVQQRO-UHFFFAOYSA-N
XLogP2.64
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ditetracosyl sulfate
CID 101286725
pentyl undecyl sulfate
CID 174900896
azanium didodecyl sulfate
CID 23617704
butyl hexadecyl sulfate
CID 174632644
magnesium dihexyl sulfate
CID 21125103
sodium dihexadecyl sulfate
CID 23616668
bis(3-hexoxypropyl) sulfate
CID 139845289
dodecyl 12-hydroxydodecyl sulfate
CID 54032685
dodecyl 2-sulfanylethyl sulfate
CID 88509684
2-aminoethyl dodecyl sulfate
CID 87208961
sodium;didodecyl sulfate;hydride;sulfuric acid
CID 174107474
ethyl hexoxy sulfate
CID 174871914

Frequently Asked Questions

What is the IUPAC name of ethyl octyl sulfate?
The IUPAC name of ethyl octyl sulfate (CID 22483719) is ethyl octyl sulfate.
What is the SMILES notation for ethyl octyl sulfate?
The canonical SMILES for ethyl octyl sulfate is CCCCCCCCOS(=O)(=O)OCC.
What is the InChIKey of ethyl octyl sulfate?
The InChIKey is PVAWVKKMOVQQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4S/c1-3-5-6-7-8-9-10-14-15(11,12)13-4-2/h3-10H2,1-2H3.
What are the key properties of ethyl octyl sulfate?
ethyl octyl sulfate has a molecular weight of 238.35 g/mol, XLogP of 2.64, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl octyl sulfate is sourced from PubChem (CID 22483719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).