hydron;tetradecyl sulfate

C14H30O4S — CID 88769738

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IUPAChydron;tetradecyl sulfate
SMILESCCCCCCCCCCCCCCOS(=O)(=O)[O-].[H+]
InChIInChI=1S/C14H30O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17/h2-14H2,1H3,(H,15,16,17)
InChIKeyURLJMZWTXZTZRR-UHFFFAOYSA-N
MW294.46 g/mol
LogP4.28
Rot. Bonds14

About hydron;tetradecyl sulfate

hydron;tetradecyl sulfate (PubChem CID 88769738) has the molecular formula C14H30O4S and a molecular weight of 294.46 g/mol. Its IUPAC name is hydron;tetradecyl sulfate.

Molecular Properties

Compound Namehydron;tetradecyl sulfate
PubChem CID88769738
Molecular FormulaC14H30O4S
Molecular Weight294.46 g/mol
Exact Mass294.19
IUPAC Namehydron;tetradecyl sulfate
SMILESCCCCCCCCCCCCCCOS(=O)(=O)[O-].[H+]
InChIInChI=1S/C14H30O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17/h2-14H2,1H3,(H,15,16,17)
InChIKeyURLJMZWTXZTZRR-UHFFFAOYSA-N
XLogP4.28
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 54.28
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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Frequently Asked Questions

What is the IUPAC name of hydron;tetradecyl sulfate?
The IUPAC name of hydron;tetradecyl sulfate (CID 88769738) is hydron;tetradecyl sulfate.
What is the SMILES notation for hydron;tetradecyl sulfate?
The canonical SMILES for hydron;tetradecyl sulfate is CCCCCCCCCCCCCCOS(=O)(=O)[O-].[H+].
What is the InChIKey of hydron;tetradecyl sulfate?
The InChIKey is URLJMZWTXZTZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17/h2-14H2,1H3,(H,15,16,17).
What are the key properties of hydron;tetradecyl sulfate?
hydron;tetradecyl sulfate has a molecular weight of 294.46 g/mol, XLogP of 4.28, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;tetradecyl sulfate is sourced from PubChem (CID 88769738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).