ethyl pentyl sulfate

C7H16O4S — CID 14877088

IUPACethyl pentyl sulfate
SMILESCCCCCOS(=O)(=O)OCC
InChIInChI=1S/C7H16O4S/c1-3-5-6-7-11-12(8,9)10-4-2/h3-7H2,1-2H3
InChIKeyRJKGIHUIHYOYJT-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.47
Rot. Bonds7

About ethyl pentyl sulfate

ethyl pentyl sulfate (PubChem CID 14877088) has the molecular formula C7H16O4S and a molecular weight of 196.27 g/mol. Its IUPAC name is ethyl pentyl sulfate.

Molecular Properties

Compound Nameethyl pentyl sulfate
PubChem CID14877088
Molecular FormulaC7H16O4S
Molecular Weight196.27 g/mol
Exact Mass196.08
IUPAC Nameethyl pentyl sulfate
SMILESCCCCCOS(=O)(=O)OCC
InChIInChI=1S/C7H16O4S/c1-3-5-6-7-11-12(8,9)10-4-2/h3-7H2,1-2H3
InChIKeyRJKGIHUIHYOYJT-UHFFFAOYSA-N
XLogP1.47
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.47
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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Frequently Asked Questions

What is the IUPAC name of ethyl pentyl sulfate?
The IUPAC name of ethyl pentyl sulfate (CID 14877088) is ethyl pentyl sulfate.
What is the SMILES notation for ethyl pentyl sulfate?
The canonical SMILES for ethyl pentyl sulfate is CCCCCOS(=O)(=O)OCC.
What is the InChIKey of ethyl pentyl sulfate?
The InChIKey is RJKGIHUIHYOYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O4S/c1-3-5-6-7-11-12(8,9)10-4-2/h3-7H2,1-2H3.
What are the key properties of ethyl pentyl sulfate?
ethyl pentyl sulfate has a molecular weight of 196.27 g/mol, XLogP of 1.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl pentyl sulfate is sourced from PubChem (CID 14877088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).