sodium;2-dodecoxyethyl hydrogen sulfate;methane

C15H34NaO5S+ — CID 132987661

IUPACsodium;2-dodecoxyethyl hydrogen sulfate;methane
SMILESC.CCCCCCCCCCCCOCCOS(=O)(=O)O.[Na+]
InChIInChI=1S/C14H30O5S.CH4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-19-20(15,16)17;;/h2-14H2,1H3,(H,15,16,17);1H4;/q;;+1
InChIKeyWFKQFGNZSZCSRN-UHFFFAOYSA-N
MW349.49 g/mol
LogP1.38
Rot. Bonds15

About sodium;2-dodecoxyethyl hydrogen sulfate;methane

sodium;2-dodecoxyethyl hydrogen sulfate;methane (PubChem CID 132987661) has the molecular formula C15H34NaO5S+ and a molecular weight of 349.49 g/mol. Its IUPAC name is sodium;2-dodecoxyethyl hydrogen sulfate;methane.

Molecular Properties

Compound Namesodium;2-dodecoxyethyl hydrogen sulfate;methane
PubChem CID132987661
Molecular FormulaC15H34NaO5S+
Molecular Weight349.49 g/mol
Exact Mass349.20
IUPAC Namesodium;2-dodecoxyethyl hydrogen sulfate;methane
SMILESC.CCCCCCCCCCCCOCCOS(=O)(=O)O.[Na+]
InChIInChI=1S/C14H30O5S.CH4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-19-20(15,16)17;;/h2-14H2,1H3,(H,15,16,17);1H4;/q;;+1
InChIKeyWFKQFGNZSZCSRN-UHFFFAOYSA-N
XLogP1.38
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.49
LogP ≤ 51.38
H-Bond Donors ≤ 51
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'}

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Related Compounds

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Ammonium Laureth Sulfate
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Diethylene glycol monolauryl ether sodium sulfate
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Sodium;azane;2-dodecoxyethyl sulfate
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Ethanol, 2-(2-(2-(tridecyloxy)ethoxy)ethoxy)-, hydrogen sulfate, sodium salt
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Frequently Asked Questions

What is the IUPAC name of sodium;2-dodecoxyethyl hydrogen sulfate;methane?
The IUPAC name of sodium;2-dodecoxyethyl hydrogen sulfate;methane (CID 132987661) is sodium;2-dodecoxyethyl hydrogen sulfate;methane.
What is the SMILES notation for sodium;2-dodecoxyethyl hydrogen sulfate;methane?
The canonical SMILES for sodium;2-dodecoxyethyl hydrogen sulfate;methane is C.CCCCCCCCCCCCOCCOS(=O)(=O)O.[Na+].
What is the InChIKey of sodium;2-dodecoxyethyl hydrogen sulfate;methane?
The InChIKey is WFKQFGNZSZCSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O5S.CH4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-19-20(15,16)17;;/h2-14H2,1H3,(H,15,16,17);1H4;/q;;+1.
What are the key properties of sodium;2-dodecoxyethyl hydrogen sulfate;methane?
sodium;2-dodecoxyethyl hydrogen sulfate;methane has a molecular weight of 349.49 g/mol, XLogP of 1.38, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-dodecoxyethyl hydrogen sulfate;methane is sourced from PubChem (CID 132987661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).