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

C30H61NaO8S — CID 175691415

IUPACsodium 2-[2-[2-(2-docosoxyethoxy)ethoxy]ethoxy]ethyl sulfate
SMILESCCCCCCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C30H62O8S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-34-23-24-35-25-26-36-27-28-37-29-30-38-39(31,32)33;/h2-30H2,1H3,(H,31,32,33);/q;+1/p-1
InChIKeyASHMQVWULJIWQW-UHFFFAOYSA-M
MW604.87 g/mol
LogP4.36
Rot. Bonds34

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

sodium 2-[2-[2-(2-docosoxyethoxy)ethoxy]ethoxy]ethyl sulfate (PubChem CID 175691415) has the molecular formula C30H61NaO8S and a molecular weight of 604.87 g/mol. Its IUPAC name is sodium 2-[2-[2-(2-docosoxyethoxy)ethoxy]ethoxy]ethyl sulfate.

Molecular Properties

Compound Namesodium 2-[2-[2-(2-docosoxyethoxy)ethoxy]ethoxy]ethyl sulfate
PubChem CID175691415
Molecular FormulaC30H61NaO8S
Molecular Weight604.87 g/mol
Exact Mass604.40
IUPAC Namesodium 2-[2-[2-(2-docosoxyethoxy)ethoxy]ethoxy]ethyl sulfate
SMILESCCCCCCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C30H62O8S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-34-23-24-35-25-26-36-27-28-37-29-30-38-39(31,32)33;/h2-30H2,1H3,(H,31,32,33);/q;+1/p-1
InChIKeyASHMQVWULJIWQW-UHFFFAOYSA-M
XLogP4.36
TPSA103.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds34
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500604.87
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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'}

Analyze sodium 2-[2-[2-(2-docosoxyethoxy)ethoxy]ethoxy]ethyl sulfate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-octoxyethyl sulfate
CID 59378503
2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethyl sulfate
CID 171151962
2-tridecoxyethyl sulfate
CID 123176891
sodium 4-decoxybutyl sulfate
CID 23689434
sodium 12-butoxydodecyl sulfate
CID 170847606
potassium 4-octoxybutyl sulfate
CID 23689427
potassium 4-decoxybutyl sulfate
CID 23689433
sodium heptacosyl sulfate
CID 155090064
sodium hexyl sulfate
CID 23678858
disodium bis(hexadecyl sulfate)
CID 10394875
sodium tetradecyl sulfate
CID 23665770
sodium pentadecyl sulfate
CID 23700089

Frequently Asked Questions

What is the IUPAC name of sodium 2-[2-[2-(2-docosoxyethoxy)ethoxy]ethoxy]ethyl sulfate?
The IUPAC name of sodium 2-[2-[2-(2-docosoxyethoxy)ethoxy]ethoxy]ethyl sulfate (CID 175691415) is sodium 2-[2-[2-(2-docosoxyethoxy)ethoxy]ethoxy]ethyl sulfate.
What is the SMILES notation for sodium 2-[2-[2-(2-docosoxyethoxy)ethoxy]ethoxy]ethyl sulfate?
The canonical SMILES for sodium 2-[2-[2-(2-docosoxyethoxy)ethoxy]ethoxy]ethyl sulfate is CCCCCCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOS(=O)(=O)[O-].[Na+].
What is the InChIKey of sodium 2-[2-[2-(2-docosoxyethoxy)ethoxy]ethoxy]ethyl sulfate?
The InChIKey is ASHMQVWULJIWQW-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H62O8S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-34-23-24-35-25-26-36-27-28-37-29-30-38-39(31,32)33;/h2-30H2,1H3,(H,31,32,33);/q;+1/p-1.
What are the key properties of sodium 2-[2-[2-(2-docosoxyethoxy)ethoxy]ethoxy]ethyl sulfate?
sodium 2-[2-[2-(2-docosoxyethoxy)ethoxy]ethoxy]ethyl sulfate has a molecular weight of 604.87 g/mol, XLogP of 4.36, 34 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[2-[2-(2-docosoxyethoxy)ethoxy]ethoxy]ethyl sulfate is sourced from PubChem (CID 175691415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).