decyl sulfate

C10H21O4S- — CID 5003059

IUPACdecyl sulfate
SMILESCCCCCCCCCCOS(=O)(=O)[O-]
InChIInChI=1S/C10H22O4S/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h2-10H2,1H3,(H,11,12,13)/p-1
InChIKeyCSMFSDCPJHNZRY-UHFFFAOYSA-M
MW237.34 g/mol
LogP2.60
Rot. Bonds10

About decyl sulfate

decyl sulfate (PubChem CID 5003059) has the molecular formula C10H21O4S- and a molecular weight of 237.34 g/mol. Its IUPAC name is decyl sulfate.

Molecular Properties

Compound Namedecyl sulfate
PubChem CID5003059
Molecular FormulaC10H21O4S-
Molecular Weight237.34 g/mol
Exact Mass237.12
IUPAC Namedecyl sulfate
SMILESCCCCCCCCCCOS(=O)(=O)[O-]
InChIInChI=1S/C10H22O4S/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h2-10H2,1H3,(H,11,12,13)/p-1
InChIKeyCSMFSDCPJHNZRY-UHFFFAOYSA-M
XLogP2.60
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.60
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 decyl sulfate?
The IUPAC name of decyl sulfate (CID 5003059) is decyl sulfate.
What is the SMILES notation for decyl sulfate?
The canonical SMILES for decyl sulfate is CCCCCCCCCCOS(=O)(=O)[O-].
What is the InChIKey of decyl sulfate?
The InChIKey is CSMFSDCPJHNZRY-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H22O4S/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h2-10H2,1H3,(H,11,12,13)/p-1.
What are the key properties of decyl sulfate?
decyl sulfate has a molecular weight of 237.34 g/mol, XLogP of 2.60, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decyl sulfate is sourced from PubChem (CID 5003059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).