2-[[2,6-bis(oxiran-2-ylmethyl)phenoxy]methyl]oxirane

C15H18O4 — CID 26113

IUPAC2-[[2,6-bis(oxiran-2-ylmethyl)phenoxy]methyl]oxirane
SMILESc1cc(CC2CO2)c(OCC2CO2)c(CC2CO2)c1
InChIInChI=1S/C15H18O4/c1-2-10(4-12-6-16-12)15(19-9-14-8-18-14)11(3-1)5-13-7-17-13/h1-3,12-14H,4-9H2
InChIKeyPPEASEWKOGNDKZ-UHFFFAOYSA-N
MW262.30 g/mol
LogP1.35
Rot. Bonds7

About 2-[[2,6-bis(oxiran-2-ylmethyl)phenoxy]methyl]oxirane

2-[[2,6-bis(oxiran-2-ylmethyl)phenoxy]methyl]oxirane (PubChem CID 26113) has the molecular formula C15H18O4 and a molecular weight of 262.30 g/mol. Its IUPAC name is 2-[[2,6-bis(oxiran-2-ylmethyl)phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[2,6-bis(oxiran-2-ylmethyl)phenoxy]methyl]oxirane
PubChem CID26113
Molecular FormulaC15H18O4
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Name2-[[2,6-bis(oxiran-2-ylmethyl)phenoxy]methyl]oxirane
SMILESc1cc(CC2CO2)c(OCC2CO2)c(CC2CO2)c1
InChIInChI=1S/C15H18O4/c1-2-10(4-12-6-16-12)15(19-9-14-8-18-14)11(3-1)5-13-7-17-13/h1-3,12-14H,4-9H2
InChIKeyPPEASEWKOGNDKZ-UHFFFAOYSA-N
XLogP1.35
TPSA46.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[[2,6-bis(oxiran-2-ylmethyl)phenoxy]methyl]oxirane?
The IUPAC name of 2-[[2,6-bis(oxiran-2-ylmethyl)phenoxy]methyl]oxirane (CID 26113) is 2-[[2,6-bis(oxiran-2-ylmethyl)phenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[2,6-bis(oxiran-2-ylmethyl)phenoxy]methyl]oxirane?
The canonical SMILES for 2-[[2,6-bis(oxiran-2-ylmethyl)phenoxy]methyl]oxirane is c1cc(CC2CO2)c(OCC2CO2)c(CC2CO2)c1.
What is the InChIKey of 2-[[2,6-bis(oxiran-2-ylmethyl)phenoxy]methyl]oxirane?
The InChIKey is PPEASEWKOGNDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-2-10(4-12-6-16-12)15(19-9-14-8-18-14)11(3-1)5-13-7-17-13/h1-3,12-14H,4-9H2.
What are the key properties of 2-[[2,6-bis(oxiran-2-ylmethyl)phenoxy]methyl]oxirane?
2-[[2,6-bis(oxiran-2-ylmethyl)phenoxy]methyl]oxirane has a molecular weight of 262.30 g/mol, XLogP of 1.35, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,6-bis(oxiran-2-ylmethyl)phenoxy]methyl]oxirane is sourced from PubChem (CID 26113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).