5-oxononadecyl hydrogen sulfate

C19H38O5S — CID 175694233

IUPAC5-oxononadecyl hydrogen sulfate
SMILESCCCCCCCCCCCCCCC(=O)CCCCOS(=O)(=O)O
InChIInChI=1S/C19H38O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19(20)17-14-15-18-24-25(21,22)23/h2-18H2,1H3,(H,21,22,23)
InChIKeyWFOSARCHDRCKFL-UHFFFAOYSA-N
MW378.58 g/mol
LogP5.64
Rot. Bonds19

About 5-oxononadecyl hydrogen sulfate

5-oxononadecyl hydrogen sulfate (PubChem CID 175694233) has the molecular formula C19H38O5S and a molecular weight of 378.58 g/mol. Its IUPAC name is 5-oxononadecyl hydrogen sulfate.

Molecular Properties

Compound Name5-oxononadecyl hydrogen sulfate
PubChem CID175694233
Molecular FormulaC19H38O5S
Molecular Weight378.58 g/mol
Exact Mass378.24
IUPAC Name5-oxononadecyl hydrogen sulfate
SMILESCCCCCCCCCCCCCCC(=O)CCCCOS(=O)(=O)O
InChIInChI=1S/C19H38O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19(20)17-14-15-18-24-25(21,22)23/h2-18H2,1H3,(H,21,22,23)
InChIKeyWFOSARCHDRCKFL-UHFFFAOYSA-N
XLogP5.64
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.58
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

decyl hydrogen sulfate;dodecyl hydrogen sulfate
CID 87746197
Sodiumn-tridecylsulphate
CID 131877406
CID 87182380
CID 87182380
tridecyl hydrogen sulfate;hydrate
CID 88668618
alumane;octadecyl hydrogen sulfate
CID 175420064
magnesium icosyl hydrogen sulfate
CID 21125099
azanium decyl hydrogen sulfate
CID 21115891
CID 170845374
CID 170845374
sodium;dodecyl hydrogen sulfate;hydride;octadecanoic acid
CID 174338183
sodium;dodecyl hydrogen sulfate;hydride
CID 173193135
butyl hydrogen sulfate;heptane
CID 175360663
2-oxotridecyl hydrogen sulfate
CID 87105845

Frequently Asked Questions

What is the IUPAC name of 5-oxononadecyl hydrogen sulfate?
The IUPAC name of 5-oxononadecyl hydrogen sulfate (CID 175694233) is 5-oxononadecyl hydrogen sulfate.
What is the SMILES notation for 5-oxononadecyl hydrogen sulfate?
The canonical SMILES for 5-oxononadecyl hydrogen sulfate is CCCCCCCCCCCCCCC(=O)CCCCOS(=O)(=O)O.
What is the InChIKey of 5-oxononadecyl hydrogen sulfate?
The InChIKey is WFOSARCHDRCKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19(20)17-14-15-18-24-25(21,22)23/h2-18H2,1H3,(H,21,22,23).
What are the key properties of 5-oxononadecyl hydrogen sulfate?
5-oxononadecyl hydrogen sulfate has a molecular weight of 378.58 g/mol, XLogP of 5.64, 19 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxononadecyl hydrogen sulfate is sourced from PubChem (CID 175694233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).