2-[(2-methyl-6-prop-2-enylphenyl)-[(2-methyl-6-prop-2-enylphenyl)-(oxiran-2-yl)methoxy]methyl]oxirane

C26H30O3 — CID 141473572

IUPAC2-[(2-methyl-6-prop-2-enylphenyl)-[(2-methyl-6-prop-2-enylphenyl)-(oxiran-2-yl)methoxy]methyl]oxirane
SMILESC=CCc1cccc(C)c1C(OC(c1c(C)cccc1CC=C)C1CO1)C1CO1
InChIInChI=1S/C26H30O3/c1-5-9-19-13-7-11-17(3)23(19)25(21-15-27-21)29-26(22-16-28-22)24-18(4)12-8-14-20(24)10-6-2/h5-8,11-14,21-22,25-26H,1-2,9-10,15-16H2,3-4H3
InChIKeyFEYWNXLDXUMHQB-UHFFFAOYSA-N
MW390.52 g/mol
LogP5.36
Rot. Bonds10

About 2-[(2-methyl-6-prop-2-enylphenyl)-[(2-methyl-6-prop-2-enylphenyl)-(oxiran-2-yl)methoxy]methyl]oxirane

2-[(2-methyl-6-prop-2-enylphenyl)-[(2-methyl-6-prop-2-enylphenyl)-(oxiran-2-yl)methoxy]methyl]oxirane (PubChem CID 141473572) has the molecular formula C26H30O3 and a molecular weight of 390.52 g/mol. Its IUPAC name is 2-[(2-methyl-6-prop-2-enylphenyl)-[(2-methyl-6-prop-2-enylphenyl)-(oxiran-2-yl)methoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[(2-methyl-6-prop-2-enylphenyl)-[(2-methyl-6-prop-2-enylphenyl)-(oxiran-2-yl)methoxy]methyl]oxirane
PubChem CID141473572
Molecular FormulaC26H30O3
Molecular Weight390.52 g/mol
Exact Mass390.22
IUPAC Name2-[(2-methyl-6-prop-2-enylphenyl)-[(2-methyl-6-prop-2-enylphenyl)-(oxiran-2-yl)methoxy]methyl]oxirane
SMILESC=CCc1cccc(C)c1C(OC(c1c(C)cccc1CC=C)C1CO1)C1CO1
InChIInChI=1S/C26H30O3/c1-5-9-19-13-7-11-17(3)23(19)25(21-15-27-21)29-26(22-16-28-22)24-18(4)12-8-14-20(24)10-6-2/h5-8,11-14,21-22,25-26H,1-2,9-10,15-16H2,3-4H3
InChIKeyFEYWNXLDXUMHQB-UHFFFAOYSA-N
XLogP5.36
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.52
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-6-prop-2-enylphenyl)-[(2-methyl-6-prop-2-enylphenyl)-(oxiran-2-yl)methoxy]methyl]oxirane?
The IUPAC name of 2-[(2-methyl-6-prop-2-enylphenyl)-[(2-methyl-6-prop-2-enylphenyl)-(oxiran-2-yl)methoxy]methyl]oxirane (CID 141473572) is 2-[(2-methyl-6-prop-2-enylphenyl)-[(2-methyl-6-prop-2-enylphenyl)-(oxiran-2-yl)methoxy]methyl]oxirane.
What is the SMILES notation for 2-[(2-methyl-6-prop-2-enylphenyl)-[(2-methyl-6-prop-2-enylphenyl)-(oxiran-2-yl)methoxy]methyl]oxirane?
The canonical SMILES for 2-[(2-methyl-6-prop-2-enylphenyl)-[(2-methyl-6-prop-2-enylphenyl)-(oxiran-2-yl)methoxy]methyl]oxirane is C=CCc1cccc(C)c1C(OC(c1c(C)cccc1CC=C)C1CO1)C1CO1.
What is the InChIKey of 2-[(2-methyl-6-prop-2-enylphenyl)-[(2-methyl-6-prop-2-enylphenyl)-(oxiran-2-yl)methoxy]methyl]oxirane?
The InChIKey is FEYWNXLDXUMHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O3/c1-5-9-19-13-7-11-17(3)23(19)25(21-15-27-21)29-26(22-16-28-22)24-18(4)12-8-14-20(24)10-6-2/h5-8,11-14,21-22,25-26H,1-2,9-10,15-16H2,3-4H3.
What are the key properties of 2-[(2-methyl-6-prop-2-enylphenyl)-[(2-methyl-6-prop-2-enylphenyl)-(oxiran-2-yl)methoxy]methyl]oxirane?
2-[(2-methyl-6-prop-2-enylphenyl)-[(2-methyl-6-prop-2-enylphenyl)-(oxiran-2-yl)methoxy]methyl]oxirane has a molecular weight of 390.52 g/mol, XLogP of 5.36, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-6-prop-2-enylphenyl)-[(2-methyl-6-prop-2-enylphenyl)-(oxiran-2-yl)methoxy]methyl]oxirane is sourced from PubChem (CID 141473572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).