3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,2-dimethylpropane-1-thiol

C12H26O4S — CID 104568060

IUPAC3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,2-dimethylpropane-1-thiol
SMILESCOCCOCCOCCOCC(C)(C)CS
InChIInChI=1S/C12H26O4S/c1-12(2,11-17)10-16-9-8-15-7-6-14-5-4-13-3/h17H,4-11H2,1-3H3
InChIKeySONFATQOIZFTIW-UHFFFAOYSA-N
MW266.40 g/mol
LogP1.64
Rot. Bonds12

About 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,2-dimethylpropane-1-thiol

3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,2-dimethylpropane-1-thiol (PubChem CID 104568060) has the molecular formula C12H26O4S and a molecular weight of 266.40 g/mol. Its IUPAC name is 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,2-dimethylpropane-1-thiol.

Molecular Properties

Compound Name3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,2-dimethylpropane-1-thiol
PubChem CID104568060
Molecular FormulaC12H26O4S
Molecular Weight266.40 g/mol
Exact Mass266.16
IUPAC Name3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,2-dimethylpropane-1-thiol
SMILESCOCCOCCOCCOCC(C)(C)CS
InChIInChI=1S/C12H26O4S/c1-12(2,11-17)10-16-9-8-15-7-6-14-5-4-13-3/h17H,4-11H2,1-3H3
InChIKeySONFATQOIZFTIW-UHFFFAOYSA-N
XLogP1.64
TPSA36.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,2-dimethylpropane-1-thiol 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

3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2,2-dimethylpropane-1-thiol
CID 104568096
1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,2-dimethylpropane
CID 166572083
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethylpropan-1-amine
CID 103406340
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanethiol
CID 86092592
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropan-2-ol
CID 176872926
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane;neodymium
CID 161321430
CID 173303266
CID 173303266
1-methoxy-2-(2-methoxyethoxy)ethane;tellane
CID 175355772
CID 172826348
CID 172826348

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,2-dimethylpropane-1-thiol?
The IUPAC name of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,2-dimethylpropane-1-thiol (CID 104568060) is 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,2-dimethylpropane-1-thiol.
What is the SMILES notation for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,2-dimethylpropane-1-thiol?
The canonical SMILES for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,2-dimethylpropane-1-thiol is COCCOCCOCCOCC(C)(C)CS.
What is the InChIKey of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,2-dimethylpropane-1-thiol?
The InChIKey is SONFATQOIZFTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4S/c1-12(2,11-17)10-16-9-8-15-7-6-14-5-4-13-3/h17H,4-11H2,1-3H3.
What are the key properties of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,2-dimethylpropane-1-thiol?
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,2-dimethylpropane-1-thiol has a molecular weight of 266.40 g/mol, XLogP of 1.64, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,2-dimethylpropane-1-thiol is sourced from PubChem (CID 104568060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).