2-[[2,4,5-tris(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane

C22H30O8 — CID 139993716

IUPAC2-[[2,4,5-tris(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane
SMILESc1c(COCC2CO2)c(COCC2CO2)cc(COCC2CO2)c1COCC1CO1
InChIInChI=1S/C22H30O8/c1-15(3-23-7-19-11-27-19)17(5-25-9-21-13-29-21)2-18(6-26-10-22-14-30-22)16(1)4-24-8-20-12-28-20/h1-2,19-22H,3-14H2
InChIKeySFZOHLOCNWQROV-UHFFFAOYSA-N
MW422.47 g/mol
LogP1.35
Rot. Bonds16

About 2-[[2,4,5-tris(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane

2-[[2,4,5-tris(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane (PubChem CID 139993716) has the molecular formula C22H30O8 and a molecular weight of 422.47 g/mol. Its IUPAC name is 2-[[2,4,5-tris(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane.

Molecular Properties

Compound Name2-[[2,4,5-tris(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane
PubChem CID139993716
Molecular FormulaC22H30O8
Molecular Weight422.47 g/mol
Exact Mass422.19
IUPAC Name2-[[2,4,5-tris(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane
SMILESc1c(COCC2CO2)c(COCC2CO2)cc(COCC2CO2)c1COCC1CO1
InChIInChI=1S/C22H30O8/c1-15(3-23-7-19-11-27-19)17(5-25-9-21-13-29-21)2-18(6-26-10-22-14-30-22)16(1)4-24-8-20-12-28-20/h1-2,19-22H,3-14H2
InChIKeySFZOHLOCNWQROV-UHFFFAOYSA-N
XLogP1.35
TPSA87.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(2,4,5-trifluorophenyl)methoxymethyl]oxirane
CID 97180096
2-[[2,3-bis(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane;ethene
CID 159741748
(2S)-2-[(2,4,5-trimethoxyphenyl)methoxymethyl]oxirane
CID 97180099
(2R)-2-[(2,3-dichlorophenyl)methoxymethyl]oxirane
CID 97180060
2-[[2-ethenyl-3,5-bis(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane
CID 57293347
2-[(2-prop-2-enylphenyl)methoxymethyl]oxirane
CID 135350457
2,3-bis(oxiran-2-ylmethoxymethyl)furan
CID 176654552
(2S)-2-[(4-bromo-2-fluorophenyl)methoxymethyl]oxirane
CID 97180097
5-[[(2S)-oxiran-2-yl]methoxymethyl]-2-[[(2R)-oxiran-2-yl]methoxymethyl]furan
CID 134445113
2-[[2,3-bis(oxiran-2-ylmethoxymethyl)-5-prop-1-en-2-ylphenyl]methoxymethyl]oxirane
CID 139830660
bis(benzene-1,4-diol);2-(oxiran-2-ylmethoxymethyl)oxirane
CID 158653156
(2S)-2-(thiophen-2-ylmethoxymethyl)oxirane
CID 7127504

Frequently Asked Questions

What is the IUPAC name of 2-[[2,4,5-tris(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane?
The IUPAC name of 2-[[2,4,5-tris(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane (CID 139993716) is 2-[[2,4,5-tris(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane.
What is the SMILES notation for 2-[[2,4,5-tris(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane?
The canonical SMILES for 2-[[2,4,5-tris(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane is c1c(COCC2CO2)c(COCC2CO2)cc(COCC2CO2)c1COCC1CO1.
What is the InChIKey of 2-[[2,4,5-tris(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane?
The InChIKey is SFZOHLOCNWQROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O8/c1-15(3-23-7-19-11-27-19)17(5-25-9-21-13-29-21)2-18(6-26-10-22-14-30-22)16(1)4-24-8-20-12-28-20/h1-2,19-22H,3-14H2.
What are the key properties of 2-[[2,4,5-tris(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane?
2-[[2,4,5-tris(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane has a molecular weight of 422.47 g/mol, XLogP of 1.35, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,4,5-tris(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane is sourced from PubChem (CID 139993716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).