2-[[2-ethenyl-3,5-bis(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane

C20H26O6 — CID 57293347

IUPAC2-[[2-ethenyl-3,5-bis(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane
SMILESC=Cc1c(COCC2CO2)cc(COCC2CO2)cc1COCC1CO1
InChIInChI=1S/C20H26O6/c1-2-20-15(6-22-9-18-12-25-18)3-14(5-21-8-17-11-24-17)4-16(20)7-23-10-19-13-26-19/h2-4,17-19H,1,5-13H2
InChIKeyBWONDYSHSJIGBM-UHFFFAOYSA-N
MW362.42 g/mol
LogP2.08
Rot. Bonds13

About 2-[[2-ethenyl-3,5-bis(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane

2-[[2-ethenyl-3,5-bis(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane (PubChem CID 57293347) has the molecular formula C20H26O6 and a molecular weight of 362.42 g/mol. Its IUPAC name is 2-[[2-ethenyl-3,5-bis(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane.

Molecular Properties

Compound Name2-[[2-ethenyl-3,5-bis(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane
PubChem CID57293347
Molecular FormulaC20H26O6
Molecular Weight362.42 g/mol
Exact Mass362.17
IUPAC Name2-[[2-ethenyl-3,5-bis(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane
SMILESC=Cc1c(COCC2CO2)cc(COCC2CO2)cc1COCC1CO1
InChIInChI=1S/C20H26O6/c1-2-20-15(6-22-9-18-12-25-18)3-14(5-21-8-17-11-24-17)4-16(20)7-23-10-19-13-26-19/h2-4,17-19H,1,5-13H2
InChIKeyBWONDYSHSJIGBM-UHFFFAOYSA-N
XLogP2.08
TPSA65.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[2,4,5-tris(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane
CID 139993716
2-[(4-prop-2-enylphenyl)methoxymethyl]oxirane
CID 22561280
2-[(2-bromo-4-ethenylphenyl)methoxymethyl]oxirane
CID 139753218
2-[(2-prop-2-enylphenyl)methoxymethyl]oxirane
CID 135350457
2-[[4-[[4-[[4-(oxiran-2-ylmethoxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxymethyl]oxirane
CID 146491565
(2R)-2-[(2,4,5-trifluorophenyl)methoxymethyl]oxirane
CID 97180096
2-[[2,3-bis(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane;ethene
CID 159741748
2-[[2,6-dimethoxy-4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane
CID 118245779
(2S)-2-[(2,4,5-trimethoxyphenyl)methoxymethyl]oxirane
CID 97180099
2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethoxymethyl)oxirane
CID 167171988
2-(oxiran-2-ylmethoxymethyl)oxirane;oxophosphane
CID 22290133
2-[[2,3-bis(oxiran-2-ylmethoxymethyl)-5-prop-1-en-2-ylphenyl]methoxymethyl]oxirane
CID 139830660

Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethenyl-3,5-bis(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane?
The IUPAC name of 2-[[2-ethenyl-3,5-bis(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane (CID 57293347) is 2-[[2-ethenyl-3,5-bis(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane.
What is the SMILES notation for 2-[[2-ethenyl-3,5-bis(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane?
The canonical SMILES for 2-[[2-ethenyl-3,5-bis(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane is C=Cc1c(COCC2CO2)cc(COCC2CO2)cc1COCC1CO1.
What is the InChIKey of 2-[[2-ethenyl-3,5-bis(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane?
The InChIKey is BWONDYSHSJIGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O6/c1-2-20-15(6-22-9-18-12-25-18)3-14(5-21-8-17-11-24-17)4-16(20)7-23-10-19-13-26-19/h2-4,17-19H,1,5-13H2.
What are the key properties of 2-[[2-ethenyl-3,5-bis(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane?
2-[[2-ethenyl-3,5-bis(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane has a molecular weight of 362.42 g/mol, XLogP of 2.08, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethenyl-3,5-bis(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane is sourced from PubChem (CID 57293347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).