dodecyl sulfate;hydron

C12H26O4S — CID 57468502

IUPACdodecyl sulfate;hydron
SMILESCCCCCCCCCCCCOS(=O)(=O)[O-].[H+]
InChIInChI=1S/C12H26O4S/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H,13,14,15)
InChIKeyMOTZDAYCYVMXPC-UHFFFAOYSA-N
MW266.40 g/mol
LogP3.50
Rot. Bonds12

About dodecyl sulfate;hydron

dodecyl sulfate;hydron (PubChem CID 57468502) has the molecular formula C12H26O4S and a molecular weight of 266.40 g/mol. Its IUPAC name is dodecyl sulfate;hydron.

Molecular Properties

Compound Namedodecyl sulfate;hydron
PubChem CID57468502
Molecular FormulaC12H26O4S
Molecular Weight266.40 g/mol
Exact Mass266.16
IUPAC Namedodecyl sulfate;hydron
SMILESCCCCCCCCCCCCOS(=O)(=O)[O-].[H+]
InChIInChI=1S/C12H26O4S/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H,13,14,15)
InChIKeyMOTZDAYCYVMXPC-UHFFFAOYSA-N
XLogP3.50
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 53.50
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 dodecyl sulfate;hydron?
The IUPAC name of dodecyl sulfate;hydron (CID 57468502) is dodecyl sulfate;hydron.
What is the SMILES notation for dodecyl sulfate;hydron?
The canonical SMILES for dodecyl sulfate;hydron is CCCCCCCCCCCCOS(=O)(=O)[O-].[H+].
What is the InChIKey of dodecyl sulfate;hydron?
The InChIKey is MOTZDAYCYVMXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4S/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H,13,14,15).
What are the key properties of dodecyl sulfate;hydron?
dodecyl sulfate;hydron has a molecular weight of 266.40 g/mol, XLogP of 3.50, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl sulfate;hydron is sourced from PubChem (CID 57468502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).