2-(3-ethenylphenyl)-3-[[3-(3-ethenylphenyl)oxiran-2-yl]methoxymethyl]oxirane

C22H22O3 — CID 141309425

IUPAC2-(3-ethenylphenyl)-3-[[3-(3-ethenylphenyl)oxiran-2-yl]methoxymethyl]oxirane
SMILESC=Cc1cccc(C2OC2COCC2OC2c2cccc(C=C)c2)c1
InChIInChI=1S/C22H22O3/c1-3-15-7-5-9-17(11-15)21-19(24-21)13-23-14-20-22(25-20)18-10-6-8-16(4-2)12-18/h3-12,19-22H,1-2,13-14H2
InChIKeyRTSJBROLJHMNLU-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.57
Rot. Bonds8

About 2-(3-ethenylphenyl)-3-[[3-(3-ethenylphenyl)oxiran-2-yl]methoxymethyl]oxirane

2-(3-ethenylphenyl)-3-[[3-(3-ethenylphenyl)oxiran-2-yl]methoxymethyl]oxirane (PubChem CID 141309425) has the molecular formula C22H22O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-(3-ethenylphenyl)-3-[[3-(3-ethenylphenyl)oxiran-2-yl]methoxymethyl]oxirane.

Molecular Properties

Compound Name2-(3-ethenylphenyl)-3-[[3-(3-ethenylphenyl)oxiran-2-yl]methoxymethyl]oxirane
PubChem CID141309425
Molecular FormulaC22H22O3
Molecular Weight334.42 g/mol
Exact Mass334.16
IUPAC Name2-(3-ethenylphenyl)-3-[[3-(3-ethenylphenyl)oxiran-2-yl]methoxymethyl]oxirane
SMILESC=Cc1cccc(C2OC2COCC2OC2c2cccc(C=C)c2)c1
InChIInChI=1S/C22H22O3/c1-3-15-7-5-9-17(11-15)21-19(24-21)13-23-14-20-22(25-20)18-10-6-8-16(4-2)12-18/h3-12,19-22H,1-2,13-14H2
InChIKeyRTSJBROLJHMNLU-UHFFFAOYSA-N
XLogP4.57
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethenylphenyl)-3-[[3-(3-ethenylphenyl)oxiran-2-yl]methoxymethyl]oxirane?
The IUPAC name of 2-(3-ethenylphenyl)-3-[[3-(3-ethenylphenyl)oxiran-2-yl]methoxymethyl]oxirane (CID 141309425) is 2-(3-ethenylphenyl)-3-[[3-(3-ethenylphenyl)oxiran-2-yl]methoxymethyl]oxirane.
What is the SMILES notation for 2-(3-ethenylphenyl)-3-[[3-(3-ethenylphenyl)oxiran-2-yl]methoxymethyl]oxirane?
The canonical SMILES for 2-(3-ethenylphenyl)-3-[[3-(3-ethenylphenyl)oxiran-2-yl]methoxymethyl]oxirane is C=Cc1cccc(C2OC2COCC2OC2c2cccc(C=C)c2)c1.
What is the InChIKey of 2-(3-ethenylphenyl)-3-[[3-(3-ethenylphenyl)oxiran-2-yl]methoxymethyl]oxirane?
The InChIKey is RTSJBROLJHMNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O3/c1-3-15-7-5-9-17(11-15)21-19(24-21)13-23-14-20-22(25-20)18-10-6-8-16(4-2)12-18/h3-12,19-22H,1-2,13-14H2.
What are the key properties of 2-(3-ethenylphenyl)-3-[[3-(3-ethenylphenyl)oxiran-2-yl]methoxymethyl]oxirane?
2-(3-ethenylphenyl)-3-[[3-(3-ethenylphenyl)oxiran-2-yl]methoxymethyl]oxirane has a molecular weight of 334.42 g/mol, XLogP of 4.57, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenylphenyl)-3-[[3-(3-ethenylphenyl)oxiran-2-yl]methoxymethyl]oxirane is sourced from PubChem (CID 141309425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).