2-[[2,3-bis(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane;ethene

C20H28O6 — CID 159741748

IUPAC2-[[2,3-bis(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane;ethene
SMILESC=C.c1cc(COCC2CO2)c(COCC2CO2)c(COCC2CO2)c1
InChIInChI=1S/C18H24O6.C2H4/c1-2-13(4-19-6-15-9-22-15)18(12-21-8-17-11-24-17)14(3-1)5-20-7-16-10-23-16;1-2/h1-3,15-17H,4-12H2;1-2H2
InChIKeyNCNVPZWTSRESAB-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.23
Rot. Bonds12

About 2-[[2,3-bis(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane;ethene

2-[[2,3-bis(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane;ethene (PubChem CID 159741748) has the molecular formula C20H28O6 and a molecular weight of 364.44 g/mol. Its IUPAC name is 2-[[2,3-bis(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane;ethene.

Molecular Properties

Compound Name2-[[2,3-bis(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane;ethene
PubChem CID159741748
Molecular FormulaC20H28O6
Molecular Weight364.44 g/mol
Exact Mass364.19
IUPAC Name2-[[2,3-bis(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane;ethene
SMILESC=C.c1cc(COCC2CO2)c(COCC2CO2)c(COCC2CO2)c1
InChIInChI=1S/C18H24O6.C2H4/c1-2-13(4-19-6-15-9-22-15)18(12-21-8-17-11-24-17)14(3-1)5-20-7-16-10-23-16;1-2/h1-3,15-17H,4-12H2;1-2H2
InChIKeyNCNVPZWTSRESAB-UHFFFAOYSA-N
XLogP2.23
TPSA65.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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
(2R)-2-[(2,3-dichlorophenyl)methoxymethyl]oxirane
CID 97180060
2-[(2-prop-2-enylphenyl)methoxymethyl]oxirane
CID 135350457
2-[[2,3-bis(oxiran-2-ylmethoxymethyl)-5-prop-1-en-2-ylphenyl]methoxymethyl]oxirane
CID 139830660
2,3-bis(oxiran-2-ylmethoxymethyl)furan
CID 176654552
5-[[(2S)-oxiran-2-yl]methoxymethyl]-2-[[(2R)-oxiran-2-yl]methoxymethyl]furan
CID 134445113
bis(benzene-1,4-diol);2-(oxiran-2-ylmethoxymethyl)oxirane
CID 158653156
2-[[4-[[4-[[4-(oxiran-2-ylmethoxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxymethyl]oxirane
CID 146491565
(2S)-2-(thiophen-2-ylmethoxymethyl)oxirane
CID 7127504
(2R)-2-[(2,4,5-trifluorophenyl)methoxymethyl]oxirane
CID 97180096
2-[[2-ethenyl-3,5-bis(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane
CID 57293347
2-[(2-bromo-4-ethenylphenyl)methoxymethyl]oxirane
CID 139753218

Frequently Asked Questions

What is the IUPAC name of 2-[[2,3-bis(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane;ethene?
The IUPAC name of 2-[[2,3-bis(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane;ethene (CID 159741748) is 2-[[2,3-bis(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane;ethene.
What is the SMILES notation for 2-[[2,3-bis(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane;ethene?
The canonical SMILES for 2-[[2,3-bis(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane;ethene is C=C.c1cc(COCC2CO2)c(COCC2CO2)c(COCC2CO2)c1.
What is the InChIKey of 2-[[2,3-bis(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane;ethene?
The InChIKey is NCNVPZWTSRESAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O6.C2H4/c1-2-13(4-19-6-15-9-22-15)18(12-21-8-17-11-24-17)14(3-1)5-20-7-16-10-23-16;1-2/h1-3,15-17H,4-12H2;1-2H2.
What are the key properties of 2-[[2,3-bis(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane;ethene?
2-[[2,3-bis(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane;ethene has a molecular weight of 364.44 g/mol, XLogP of 2.23, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,3-bis(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane;ethene is sourced from PubChem (CID 159741748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).