nonyl sulfate

C9H19O4S- — CID 22561495

IUPACnonyl sulfate
SMILESCCCCCCCCCOS(=O)(=O)[O-]
InChIInChI=1S/C9H20O4S/c1-2-3-4-5-6-7-8-9-13-14(10,11)12/h2-9H2,1H3,(H,10,11,12)/p-1
InChIKeyKETHQOOVMIVLCH-UHFFFAOYSA-M
MW223.31 g/mol
LogP2.21
Rot. Bonds9

About nonyl sulfate

nonyl sulfate (PubChem CID 22561495) has the molecular formula C9H19O4S- and a molecular weight of 223.31 g/mol. Its IUPAC name is nonyl sulfate.

Molecular Properties

Compound Namenonyl sulfate
PubChem CID22561495
Molecular FormulaC9H19O4S-
Molecular Weight223.31 g/mol
Exact Mass223.10
IUPAC Namenonyl sulfate
SMILESCCCCCCCCCOS(=O)(=O)[O-]
InChIInChI=1S/C9H20O4S/c1-2-3-4-5-6-7-8-9-13-14(10,11)12/h2-9H2,1H3,(H,10,11,12)/p-1
InChIKeyKETHQOOVMIVLCH-UHFFFAOYSA-M
XLogP2.21
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 52.21
H-Bond Donors ≤ 50
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'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

Sodium Lauryl Sulfate
CID 3423265
Ammonium Lauryl Sulfate
CID 16700
Sodium Myristyl Sulfate
CID 23665770
Sodium laureth sulfate
CID 23665884
Sodium Tridecyl Sulfate
CID 23668353
Lauryl sulfate
CID 8778
Sodium Decyl Sulfate
CID 23665771
Cetyl sulfate sodium salt
CID 23695542
Sodium Stearyl Sulfate
CID 23673604
Sodium nonyl sulfate
CID 23677967
Sodium Octyl Sulfate
CID 2735107
Myristyl sulfate
CID 5248

Frequently Asked Questions

What is the IUPAC name of nonyl sulfate?
The IUPAC name of nonyl sulfate (CID 22561495) is nonyl sulfate.
What is the SMILES notation for nonyl sulfate?
The canonical SMILES for nonyl sulfate is CCCCCCCCCOS(=O)(=O)[O-].
What is the InChIKey of nonyl sulfate?
The InChIKey is KETHQOOVMIVLCH-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H20O4S/c1-2-3-4-5-6-7-8-9-13-14(10,11)12/h2-9H2,1H3,(H,10,11,12)/p-1.
What are the key properties of nonyl sulfate?
nonyl sulfate has a molecular weight of 223.31 g/mol, XLogP of 2.21, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl sulfate is sourced from PubChem (CID 22561495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).