2-[3-(oxiran-2-ylmethoxy)cyclopentyl]oxyethanesulfonic acid

C10H18O6S — CID 165102212

IUPAC2-[3-(oxiran-2-ylmethoxy)cyclopentyl]oxyethanesulfonic acid
SMILESO=S(=O)(O)CCOC1CCC(OCC2CO2)C1
InChIInChI=1S/C10H18O6S/c11-17(12,13)4-3-14-8-1-2-9(5-8)15-6-10-7-16-10/h8-10H,1-7H2,(H,11,12,13)
InChIKeyNUADZMFKPTYBJN-UHFFFAOYSA-N
MW266.31 g/mol
LogP0.23
Rot. Bonds7

About 2-[3-(oxiran-2-ylmethoxy)cyclopentyl]oxyethanesulfonic acid

2-[3-(oxiran-2-ylmethoxy)cyclopentyl]oxyethanesulfonic acid (PubChem CID 165102212) has the molecular formula C10H18O6S and a molecular weight of 266.31 g/mol. Its IUPAC name is 2-[3-(oxiran-2-ylmethoxy)cyclopentyl]oxyethanesulfonic acid.

Molecular Properties

Compound Name2-[3-(oxiran-2-ylmethoxy)cyclopentyl]oxyethanesulfonic acid
PubChem CID165102212
Molecular FormulaC10H18O6S
Molecular Weight266.31 g/mol
Exact Mass266.08
IUPAC Name2-[3-(oxiran-2-ylmethoxy)cyclopentyl]oxyethanesulfonic acid
SMILESO=S(=O)(O)CCOC1CCC(OCC2CO2)C1
InChIInChI=1S/C10H18O6S/c11-17(12,13)4-3-14-8-1-2-9(5-8)15-6-10-7-16-10/h8-10H,1-7H2,(H,11,12,13)
InChIKeyNUADZMFKPTYBJN-UHFFFAOYSA-N
XLogP0.23
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[3-(oxiran-2-ylmethoxy)cyclohexanecarbonyl]oxyethanesulfonic acid
CID 165071761
[3-(oxiran-2-ylmethoxy)cyclopentyl] N-(trifluoromethylsulfonyl)sulfamate
CID 167078247
3-(oxiran-2-ylmethoxy)cyclohexan-1-ol
CID 118671193
2-[[3,4-bis(oxiran-2-ylmethyl)cyclohexyl]oxymethyl]oxirane;methanamine
CID 174996449
2-[[3-ethyl-4-[[2-ethyl-4-(oxiran-2-ylmethoxy)cyclohexyl]methyl]cyclohexyl]oxymethyl]oxirane
CID 139990267
1,1-difluoro-2-[5-(oxiran-2-ylmethoxy)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carbonyl]oxyethanesulfonic acid
CID 164777696
2-(4-tricyclo[5.2.1.02,6]decanyloxymethyl)oxirane
CID 58519968
2-[[4-(methoxymethyl)cyclohexyl]oxymethyl]oxirane
CID 167078198
4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexan-1-ol
CID 89323282
2-[2-[2-chloro-4-[2-(oxiran-2-yl)ethoxy]cyclohexyl]oxyethyl]oxirane
CID 22182841
(1S,5S)-8-methyl-3-[[(2R)-oxiran-2-yl]methoxy]-8-azabicyclo[3.2.1]octane
CID 124554723
3-(4-methylsulfanyloxycyclohexyl)oxypropane-1-sulfonic acid
CID 140700086

Frequently Asked Questions

What is the IUPAC name of 2-[3-(oxiran-2-ylmethoxy)cyclopentyl]oxyethanesulfonic acid?
The IUPAC name of 2-[3-(oxiran-2-ylmethoxy)cyclopentyl]oxyethanesulfonic acid (CID 165102212) is 2-[3-(oxiran-2-ylmethoxy)cyclopentyl]oxyethanesulfonic acid.
What is the SMILES notation for 2-[3-(oxiran-2-ylmethoxy)cyclopentyl]oxyethanesulfonic acid?
The canonical SMILES for 2-[3-(oxiran-2-ylmethoxy)cyclopentyl]oxyethanesulfonic acid is O=S(=O)(O)CCOC1CCC(OCC2CO2)C1.
What is the InChIKey of 2-[3-(oxiran-2-ylmethoxy)cyclopentyl]oxyethanesulfonic acid?
The InChIKey is NUADZMFKPTYBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O6S/c11-17(12,13)4-3-14-8-1-2-9(5-8)15-6-10-7-16-10/h8-10H,1-7H2,(H,11,12,13).
What are the key properties of 2-[3-(oxiran-2-ylmethoxy)cyclopentyl]oxyethanesulfonic acid?
2-[3-(oxiran-2-ylmethoxy)cyclopentyl]oxyethanesulfonic acid has a molecular weight of 266.31 g/mol, XLogP of 0.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(oxiran-2-ylmethoxy)cyclopentyl]oxyethanesulfonic acid is sourced from PubChem (CID 165102212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).