2-[2-[4-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]sulfanylphenoxy]ethoxymethyl]oxirane

C22H26O6S — CID 143216259

IUPAC2-[2-[4-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]sulfanylphenoxy]ethoxymethyl]oxirane
SMILESc1cc(Sc2ccc(OCCOCC3CO3)cc2)ccc1OCCOCC1CO1
InChIInChI=1S/C22H26O6S/c1-5-21(6-2-17(1)25-11-9-23-13-19-15-27-19)29-22-7-3-18(4-8-22)26-12-10-24-14-20-16-28-20/h1-8,19-20H,9-16H2
InChIKeyAKNWCNPKGHDHOT-UHFFFAOYSA-N
MW418.51 g/mol
LogP3.43
Rot. Bonds14

About 2-[2-[4-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]sulfanylphenoxy]ethoxymethyl]oxirane

2-[2-[4-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]sulfanylphenoxy]ethoxymethyl]oxirane (PubChem CID 143216259) has the molecular formula C22H26O6S and a molecular weight of 418.51 g/mol. Its IUPAC name is 2-[2-[4-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]sulfanylphenoxy]ethoxymethyl]oxirane.

Molecular Properties

Compound Name2-[2-[4-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]sulfanylphenoxy]ethoxymethyl]oxirane
PubChem CID143216259
Molecular FormulaC22H26O6S
Molecular Weight418.51 g/mol
Exact Mass418.15
IUPAC Name2-[2-[4-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]sulfanylphenoxy]ethoxymethyl]oxirane
SMILESc1cc(Sc2ccc(OCCOCC3CO3)cc2)ccc1OCCOCC1CO1
InChIInChI=1S/C22H26O6S/c1-5-21(6-2-17(1)25-11-9-23-13-19-15-27-19)29-22-7-3-18(4-8-22)26-12-10-24-14-20-16-28-20/h1-8,19-20H,9-16H2
InChIKeyAKNWCNPKGHDHOT-UHFFFAOYSA-N
XLogP3.43
TPSA61.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.51
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[4-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenoxy]ethoxymethyl]oxirane
CID 87441812
2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 146313445
2-[2-(2-phenoxyethoxy)ethoxymethyl]oxirane
CID 59687579
2-[[4-[4-(ethoxymethoxy)phenyl]sulfanylphenoxy]methyl]oxirane
CID 137484879
2-[2-(4-cyclohexylphenoxy)ethoxymethyl]oxirane
CID 152663687
(2S)-2-[[4-(2-ethoxyethoxy)phenoxy]methyl]oxirane
CID 11075490
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
4-[2-(oxiran-2-ylmethoxy)ethoxy]benzaldehyde;propan-2-ol
CID 18939129
2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfanyloxysulfanylphenoxy]methyl]oxirane
CID 21248194
2-[6-(4-phenylphenoxy)hexoxymethyl]oxirane
CID 100977910
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 58765936
2-[[4-(2-methoxyethoxymethoxy)phenoxy]methyl]oxirane
CID 74928009

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]sulfanylphenoxy]ethoxymethyl]oxirane?
The IUPAC name of 2-[2-[4-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]sulfanylphenoxy]ethoxymethyl]oxirane (CID 143216259) is 2-[2-[4-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]sulfanylphenoxy]ethoxymethyl]oxirane.
What is the SMILES notation for 2-[2-[4-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]sulfanylphenoxy]ethoxymethyl]oxirane?
The canonical SMILES for 2-[2-[4-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]sulfanylphenoxy]ethoxymethyl]oxirane is c1cc(Sc2ccc(OCCOCC3CO3)cc2)ccc1OCCOCC1CO1.
What is the InChIKey of 2-[2-[4-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]sulfanylphenoxy]ethoxymethyl]oxirane?
The InChIKey is AKNWCNPKGHDHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O6S/c1-5-21(6-2-17(1)25-11-9-23-13-19-15-27-19)29-22-7-3-18(4-8-22)26-12-10-24-14-20-16-28-20/h1-8,19-20H,9-16H2.
What are the key properties of 2-[2-[4-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]sulfanylphenoxy]ethoxymethyl]oxirane?
2-[2-[4-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]sulfanylphenoxy]ethoxymethyl]oxirane has a molecular weight of 418.51 g/mol, XLogP of 3.43, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]sulfanylphenoxy]ethoxymethyl]oxirane is sourced from PubChem (CID 143216259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).