sodium 2-[2-(2-tetradecoxyethoxy)ethoxy]ethyl sulfate

C20H41NaO7S — CID 23682189

IUPACsodium 2-[2-(2-tetradecoxyethoxy)ethoxy]ethyl sulfate
SMILESCCCCCCCCCCCCCCOCCOCCOCCOS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C20H42O7S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-24-15-16-25-17-18-26-19-20-27-28(21,22)23;/h2-20H2,1H3,(H,21,22,23);/q;+1/p-1
InChIKeyMDSQKJDNWUMBQQ-UHFFFAOYSA-M
MW448.60 g/mol
LogP1.22
Rot. Bonds23

About sodium 2-[2-(2-tetradecoxyethoxy)ethoxy]ethyl sulfate

sodium 2-[2-(2-tetradecoxyethoxy)ethoxy]ethyl sulfate (PubChem CID 23682189) has the molecular formula C20H41NaO7S and a molecular weight of 448.60 g/mol. Its IUPAC name is sodium 2-[2-(2-tetradecoxyethoxy)ethoxy]ethyl sulfate.

Molecular Properties

Compound Namesodium 2-[2-(2-tetradecoxyethoxy)ethoxy]ethyl sulfate
PubChem CID23682189
Molecular FormulaC20H41NaO7S
Molecular Weight448.60 g/mol
Exact Mass448.25
IUPAC Namesodium 2-[2-(2-tetradecoxyethoxy)ethoxy]ethyl sulfate
SMILESCCCCCCCCCCCCCCOCCOCCOCCOS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C20H42O7S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-24-15-16-25-17-18-26-19-20-27-28(21,22)23;/h2-20H2,1H3,(H,21,22,23);/q;+1/p-1
InChIKeyMDSQKJDNWUMBQQ-UHFFFAOYSA-M
XLogP1.22
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds23
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.60
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 laureth sulfate
CID 23665884
Cetyl sulfate sodium salt
CID 23695542
Sodium Stearyl Sulfate
CID 23673604
CID 87490204
CID 87490204
CID 134813725
CID 134813725
2-Dodecoxyethyl hydrogen sulfate
CID 24761
Sodium Laureth-3 Sulfate
CID 23674622
Ammonium Laureth Sulfate
CID 61913
Diethylene glycol monolauryl ether sodium sulfate
CID 23682204
Sodium;azane;2-dodecoxyethyl sulfate
CID 155973928
Sodium Heptadecyl Sulfate
CID 23670849
Magnesium laureth-3 sulfate
CID 44150971

Frequently Asked Questions

What is the IUPAC name of sodium 2-[2-(2-tetradecoxyethoxy)ethoxy]ethyl sulfate?
The IUPAC name of sodium 2-[2-(2-tetradecoxyethoxy)ethoxy]ethyl sulfate (CID 23682189) is sodium 2-[2-(2-tetradecoxyethoxy)ethoxy]ethyl sulfate.
What is the SMILES notation for sodium 2-[2-(2-tetradecoxyethoxy)ethoxy]ethyl sulfate?
The canonical SMILES for sodium 2-[2-(2-tetradecoxyethoxy)ethoxy]ethyl sulfate is CCCCCCCCCCCCCCOCCOCCOCCOS(=O)(=O)[O-].[Na+].
What is the InChIKey of sodium 2-[2-(2-tetradecoxyethoxy)ethoxy]ethyl sulfate?
The InChIKey is MDSQKJDNWUMBQQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H42O7S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-24-15-16-25-17-18-26-19-20-27-28(21,22)23;/h2-20H2,1H3,(H,21,22,23);/q;+1/p-1.
What are the key properties of sodium 2-[2-(2-tetradecoxyethoxy)ethoxy]ethyl sulfate?
sodium 2-[2-(2-tetradecoxyethoxy)ethoxy]ethyl sulfate has a molecular weight of 448.60 g/mol, XLogP of 1.22, 23 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[2-(2-tetradecoxyethoxy)ethoxy]ethyl sulfate is sourced from PubChem (CID 23682189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).