tert-butyl 2-[2-[2-[2-(2-benzylsulfonyloxyethoxy)ethoxy]ethoxy]ethoxy]acetate

C21H34O9S — CID 153375811

IUPACtert-butyl 2-[2-[2-[2-(2-benzylsulfonyloxyethoxy)ethoxy]ethoxy]ethoxy]acetate
SMILESCC(C)(C)OC(=O)COCCOCCOCCOCCOS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C21H34O9S/c1-21(2,3)30-20(22)17-28-14-13-26-10-9-25-11-12-27-15-16-29-31(23,24)18-19-7-5-4-6-8-19/h4-8H,9-18H2,1-3H3
InChIKeyCFJOCMGZIBSSGL-UHFFFAOYSA-N
MW462.56 g/mol
LogP1.94
Rot. Bonds17

About tert-butyl 2-[2-[2-[2-(2-benzylsulfonyloxyethoxy)ethoxy]ethoxy]ethoxy]acetate

tert-butyl 2-[2-[2-[2-(2-benzylsulfonyloxyethoxy)ethoxy]ethoxy]ethoxy]acetate (PubChem CID 153375811) has the molecular formula C21H34O9S and a molecular weight of 462.56 g/mol. Its IUPAC name is tert-butyl 2-[2-[2-[2-(2-benzylsulfonyloxyethoxy)ethoxy]ethoxy]ethoxy]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-[2-[2-(2-benzylsulfonyloxyethoxy)ethoxy]ethoxy]ethoxy]acetate
PubChem CID153375811
Molecular FormulaC21H34O9S
Molecular Weight462.56 g/mol
Exact Mass462.19
IUPAC Nametert-butyl 2-[2-[2-[2-(2-benzylsulfonyloxyethoxy)ethoxy]ethoxy]ethoxy]acetate
SMILESCC(C)(C)OC(=O)COCCOCCOCCOCCOS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C21H34O9S/c1-21(2,3)30-20(22)17-28-14-13-26-10-9-25-11-12-27-15-16-29-31(23,24)18-19-7-5-4-6-8-19/h4-8H,9-18H2,1-3H3
InChIKeyCFJOCMGZIBSSGL-UHFFFAOYSA-N
XLogP1.94
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.56
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze tert-butyl 2-[2-[2-[2-(2-benzylsulfonyloxyethoxy)ethoxy]ethoxy]ethoxy]acetate 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

ethyl 2-[2-(2-benzylsulfonyloxyethoxy)ethoxy]acetate
CID 141499088
tert-butyl 2-(6-benzylsulfonyloxyhexa-2,4-diynoxy)acetate
CID 141499100
2-(2-phenylmethoxyethoxy)ethyl phenylmethanesulfonate
CID 71344720
tert-butyl 2-(4-phenylmethoxybutoxy)acetate
CID 176906340
tert-butyl 2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]acetate
CID 11325667
tert-butyl 2-[2-[2-[2-[2-[2-[3,5-bis[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 86607046
tert-butyl 3-[2-[2-[benzyl-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]propanoate
CID 171748821
tert-butyl 4-(3-benzylsulfonyloxypropyl)piperidine-1-carboxylate
CID 166066093
tert-butyl 2-[2-[2-[2-[(4-methylphenyl)-oxo-(oxomethylidene)-λ6-sulfanyl]oxyethoxy]ethoxy]ethoxy]acetate
CID 123207456
tert-butyl 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 155606966
tert-butyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate
CID 126480423
tert-butyl 2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 129012181

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[2-[2-(2-benzylsulfonyloxyethoxy)ethoxy]ethoxy]ethoxy]acetate?
The IUPAC name of tert-butyl 2-[2-[2-[2-(2-benzylsulfonyloxyethoxy)ethoxy]ethoxy]ethoxy]acetate (CID 153375811) is tert-butyl 2-[2-[2-[2-(2-benzylsulfonyloxyethoxy)ethoxy]ethoxy]ethoxy]acetate.
What is the SMILES notation for tert-butyl 2-[2-[2-[2-(2-benzylsulfonyloxyethoxy)ethoxy]ethoxy]ethoxy]acetate?
The canonical SMILES for tert-butyl 2-[2-[2-[2-(2-benzylsulfonyloxyethoxy)ethoxy]ethoxy]ethoxy]acetate is CC(C)(C)OC(=O)COCCOCCOCCOCCOS(=O)(=O)Cc1ccccc1.
What is the InChIKey of tert-butyl 2-[2-[2-[2-(2-benzylsulfonyloxyethoxy)ethoxy]ethoxy]ethoxy]acetate?
The InChIKey is CFJOCMGZIBSSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O9S/c1-21(2,3)30-20(22)17-28-14-13-26-10-9-25-11-12-27-15-16-29-31(23,24)18-19-7-5-4-6-8-19/h4-8H,9-18H2,1-3H3.
What are the key properties of tert-butyl 2-[2-[2-[2-(2-benzylsulfonyloxyethoxy)ethoxy]ethoxy]ethoxy]acetate?
tert-butyl 2-[2-[2-[2-(2-benzylsulfonyloxyethoxy)ethoxy]ethoxy]ethoxy]acetate has a molecular weight of 462.56 g/mol, XLogP of 1.94, 17 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[2-[2-(2-benzylsulfonyloxyethoxy)ethoxy]ethoxy]ethoxy]acetate is sourced from PubChem (CID 153375811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).