14-ethyloctadecyl hydrogen sulfate

C20H42O4S — CID 139778454

IUPAC14-ethyloctadecyl hydrogen sulfate
SMILESCCCCC(CC)CCCCCCCCCCCCCOS(=O)(=O)O
InChIInChI=1S/C20H42O4S/c1-3-5-17-20(4-2)18-15-13-11-9-7-6-8-10-12-14-16-19-24-25(21,22)23/h20H,3-19H2,1-2H3,(H,21,22,23)
InChIKeyZBQPLBJSRLGCIF-UHFFFAOYSA-N
MW378.62 g/mol
LogP6.70
Rot. Bonds19

About 14-ethyloctadecyl hydrogen sulfate

14-ethyloctadecyl hydrogen sulfate (PubChem CID 139778454) has the molecular formula C20H42O4S and a molecular weight of 378.62 g/mol. Its IUPAC name is 14-ethyloctadecyl hydrogen sulfate.

Molecular Properties

Compound Name14-ethyloctadecyl hydrogen sulfate
PubChem CID139778454
Molecular FormulaC20H42O4S
Molecular Weight378.62 g/mol
Exact Mass378.28
IUPAC Name14-ethyloctadecyl hydrogen sulfate
SMILESCCCCC(CC)CCCCCCCCCCCCCOS(=O)(=O)O
InChIInChI=1S/C20H42O4S/c1-3-5-17-20(4-2)18-15-13-11-9-7-6-8-10-12-14-16-19-24-25(21,22)23/h20H,3-19H2,1-2H3,(H,21,22,23)
InChIKeyZBQPLBJSRLGCIF-UHFFFAOYSA-N
XLogP6.70
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.62
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

sodium;dodecyl hydrogen sulfate;hydride
CID 173193135
decyl hydrogen sulfate;dodecyl hydrogen sulfate
CID 87746197
[(2R)-2-ethylhexyl] hydrogen sulfate
CID 5496779
alumane;octadecyl hydrogen sulfate
CID 175420064
magnesium icosyl hydrogen sulfate
CID 21125099
Sodiumn-tridecylsulphate
CID 131877406
CID 87182380
CID 87182380
tridecyl hydrogen sulfate;hydrate
CID 88668618
CID 170845374
CID 170845374
azanium decyl hydrogen sulfate
CID 21115891
(7-ethyl-2-methyldodecyl) hydrogen sulfate
CID 174384019
1-aminopropan-1-ol;dodecyl hydrogen sulfate
CID 175192764

Frequently Asked Questions

What is the IUPAC name of 14-ethyloctadecyl hydrogen sulfate?
The IUPAC name of 14-ethyloctadecyl hydrogen sulfate (CID 139778454) is 14-ethyloctadecyl hydrogen sulfate.
What is the SMILES notation for 14-ethyloctadecyl hydrogen sulfate?
The canonical SMILES for 14-ethyloctadecyl hydrogen sulfate is CCCCC(CC)CCCCCCCCCCCCCOS(=O)(=O)O.
What is the InChIKey of 14-ethyloctadecyl hydrogen sulfate?
The InChIKey is ZBQPLBJSRLGCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O4S/c1-3-5-17-20(4-2)18-15-13-11-9-7-6-8-10-12-14-16-19-24-25(21,22)23/h20H,3-19H2,1-2H3,(H,21,22,23).
What are the key properties of 14-ethyloctadecyl hydrogen sulfate?
14-ethyloctadecyl hydrogen sulfate has a molecular weight of 378.62 g/mol, XLogP of 6.70, 19 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-ethyloctadecyl hydrogen sulfate is sourced from PubChem (CID 139778454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).