tert-butyl 1-[2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylate

C17H32O8S — CID 122573455

IUPACtert-butyl 1-[2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1(OCCOCCOCCOS(C)(=O)=O)CCCC1
InChIInChI=1S/C17H32O8S/c1-16(2,3)25-15(18)17(7-5-6-8-17)23-13-11-21-9-10-22-12-14-24-26(4,19)20/h5-14H2,1-4H3
InChIKeyOSCYZJGAXQQETL-UHFFFAOYSA-N
MW396.50 g/mol
LogP1.67
Rot. Bonds12

About tert-butyl 1-[2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylate

tert-butyl 1-[2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylate (PubChem CID 122573455) has the molecular formula C17H32O8S and a molecular weight of 396.50 g/mol. Its IUPAC name is tert-butyl 1-[2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-[2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylate
PubChem CID122573455
Molecular FormulaC17H32O8S
Molecular Weight396.50 g/mol
Exact Mass396.18
IUPAC Nametert-butyl 1-[2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1(OCCOCCOCCOS(C)(=O)=O)CCCC1
InChIInChI=1S/C17H32O8S/c1-16(2,3)25-15(18)17(7-5-6-8-17)23-13-11-21-9-10-22-12-14-24-26(4,19)20/h5-14H2,1-4H3
InChIKeyOSCYZJGAXQQETL-UHFFFAOYSA-N
XLogP1.67
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 51.67
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_1', 'substructure': 'N/A'}

Analyze tert-butyl 1-[2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylate 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

tert-butyl 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylate;tert-butyl 1-[2-(2-propoxyethoxy)ethoxy]cyclopentane-1-carboxylate
CID 160754855
2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 89421745
2-[2-[2-[2-[2-[2-[cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 177239965
2-(2-methoxyethoxy)ethyl methanesulfonate
CID 3815654
tert-butyl 4,4-bis(2-methylsulfonyloxyethyl)azepane-1-carboxylate
CID 86645839
3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]propyl methanesulfonate
CID 163276223
1-(2-butoxyethoxy)cyclopentane-1-carboxylic acid
CID 114990948
tert-butyl 5-(5-methylsulfonyloxypentoxy)pentanoate
CID 140844516
tert-butyl 1-methoxycyclopropane-1-carboxylate
CID 156662901
tert-butyl 1-hydroxycyclopentane-1-carboxylate
CID 86626433
methyl 1-[4-(4-methylsulfonyloxybutyl)phenoxy]cyclopentane-1-carboxylate
CID 58857422
tert-butyl 4-fluoro-4-(methylsulfonyloxymethyl)piperidine-1-carboxylate
CID 22248402

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-[2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylate?
The IUPAC name of tert-butyl 1-[2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylate (CID 122573455) is tert-butyl 1-[2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylate.
What is the SMILES notation for tert-butyl 1-[2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylate?
The canonical SMILES for tert-butyl 1-[2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylate is CC(C)(C)OC(=O)C1(OCCOCCOCCOS(C)(=O)=O)CCCC1.
What is the InChIKey of tert-butyl 1-[2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylate?
The InChIKey is OSCYZJGAXQQETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O8S/c1-16(2,3)25-15(18)17(7-5-6-8-17)23-13-11-21-9-10-22-12-14-24-26(4,19)20/h5-14H2,1-4H3.
What are the key properties of tert-butyl 1-[2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylate?
tert-butyl 1-[2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylate has a molecular weight of 396.50 g/mol, XLogP of 1.67, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-[2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylate is sourced from PubChem (CID 122573455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).