2-[[2,3-bis(oxiran-2-ylmethyl)phenyl]-[[2,3-bis(oxiran-2-ylmethyl)phenyl]-(oxiran-2-yl)methoxy]methyl]oxirane

C30H34O7 — CID 175318150

IUPAC2-[[2,3-bis(oxiran-2-ylmethyl)phenyl]-[[2,3-bis(oxiran-2-ylmethyl)phenyl]-(oxiran-2-yl)methoxy]methyl]oxirane
SMILESc1cc(CC2CO2)c(CC2CO2)c(C(OC(c2cccc(CC3CO3)c2CC2CO2)C2CO2)C2CO2)c1
InChIInChI=1S/C30H34O7/c1-3-17(7-19-11-31-19)25(9-21-13-33-21)23(5-1)29(27-15-35-27)37-30(28-16-36-28)24-6-2-4-18(8-20-12-32-20)26(24)10-22-14-34-22/h1-6,19-22,27-30H,7-16H2
InChIKeyXQVCVYJLKXVNKJ-UHFFFAOYSA-N
MW506.60 g/mol
LogP3.05
Rot. Bonds14

About 2-[[2,3-bis(oxiran-2-ylmethyl)phenyl]-[[2,3-bis(oxiran-2-ylmethyl)phenyl]-(oxiran-2-yl)methoxy]methyl]oxirane

2-[[2,3-bis(oxiran-2-ylmethyl)phenyl]-[[2,3-bis(oxiran-2-ylmethyl)phenyl]-(oxiran-2-yl)methoxy]methyl]oxirane (PubChem CID 175318150) has the molecular formula C30H34O7 and a molecular weight of 506.60 g/mol. Its IUPAC name is 2-[[2,3-bis(oxiran-2-ylmethyl)phenyl]-[[2,3-bis(oxiran-2-ylmethyl)phenyl]-(oxiran-2-yl)methoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[2,3-bis(oxiran-2-ylmethyl)phenyl]-[[2,3-bis(oxiran-2-ylmethyl)phenyl]-(oxiran-2-yl)methoxy]methyl]oxirane
PubChem CID175318150
Molecular FormulaC30H34O7
Molecular Weight506.60 g/mol
Exact Mass506.23
IUPAC Name2-[[2,3-bis(oxiran-2-ylmethyl)phenyl]-[[2,3-bis(oxiran-2-ylmethyl)phenyl]-(oxiran-2-yl)methoxy]methyl]oxirane
SMILESc1cc(CC2CO2)c(CC2CO2)c(C(OC(c2cccc(CC3CO3)c2CC2CO2)C2CO2)C2CO2)c1
InChIInChI=1S/C30H34O7/c1-3-17(7-19-11-31-19)25(9-21-13-33-21)23(5-1)29(27-15-35-27)37-30(28-16-36-28)24-6-2-4-18(8-20-12-32-20)26(24)10-22-14-34-22/h1-6,19-22,27-30H,7-16H2
InChIKeyXQVCVYJLKXVNKJ-UHFFFAOYSA-N
XLogP3.05
TPSA84.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.60
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[[2,3-bis(oxiran-2-ylmethyl)phenyl]-[[2,3-bis(oxiran-2-ylmethyl)phenyl]-(oxiran-2-yl)methoxy]methyl]oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2,3-bis(oxiran-2-ylmethyl)phenyl]-[[2,3-bis(oxiran-2-ylmethyl)phenyl]-(oxiran-2-yl)methoxy]methyl]oxirane?
The IUPAC name of 2-[[2,3-bis(oxiran-2-ylmethyl)phenyl]-[[2,3-bis(oxiran-2-ylmethyl)phenyl]-(oxiran-2-yl)methoxy]methyl]oxirane (CID 175318150) is 2-[[2,3-bis(oxiran-2-ylmethyl)phenyl]-[[2,3-bis(oxiran-2-ylmethyl)phenyl]-(oxiran-2-yl)methoxy]methyl]oxirane.
What is the SMILES notation for 2-[[2,3-bis(oxiran-2-ylmethyl)phenyl]-[[2,3-bis(oxiran-2-ylmethyl)phenyl]-(oxiran-2-yl)methoxy]methyl]oxirane?
The canonical SMILES for 2-[[2,3-bis(oxiran-2-ylmethyl)phenyl]-[[2,3-bis(oxiran-2-ylmethyl)phenyl]-(oxiran-2-yl)methoxy]methyl]oxirane is c1cc(CC2CO2)c(CC2CO2)c(C(OC(c2cccc(CC3CO3)c2CC2CO2)C2CO2)C2CO2)c1.
What is the InChIKey of 2-[[2,3-bis(oxiran-2-ylmethyl)phenyl]-[[2,3-bis(oxiran-2-ylmethyl)phenyl]-(oxiran-2-yl)methoxy]methyl]oxirane?
The InChIKey is XQVCVYJLKXVNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34O7/c1-3-17(7-19-11-31-19)25(9-21-13-33-21)23(5-1)29(27-15-35-27)37-30(28-16-36-28)24-6-2-4-18(8-20-12-32-20)26(24)10-22-14-34-22/h1-6,19-22,27-30H,7-16H2.
What are the key properties of 2-[[2,3-bis(oxiran-2-ylmethyl)phenyl]-[[2,3-bis(oxiran-2-ylmethyl)phenyl]-(oxiran-2-yl)methoxy]methyl]oxirane?
2-[[2,3-bis(oxiran-2-ylmethyl)phenyl]-[[2,3-bis(oxiran-2-ylmethyl)phenyl]-(oxiran-2-yl)methoxy]methyl]oxirane has a molecular weight of 506.60 g/mol, XLogP of 3.05, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,3-bis(oxiran-2-ylmethyl)phenyl]-[[2,3-bis(oxiran-2-ylmethyl)phenyl]-(oxiran-2-yl)methoxy]methyl]oxirane is sourced from PubChem (CID 175318150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).