1,3-dibenzylbenzene;1,4-dibenzylbenzene;bis(2-ethoxyoxirane);bis(2-(methoxymethyl)oxirane);bis(2-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane);2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane

C112H126O20 — CID 161038979

About 1,3-dibenzylbenzene;1,4-dibenzylbenzene;bis(2-ethoxyoxirane);bis(2-(methoxymethyl)oxirane);bis(2-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane);2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane

1,3-dibenzylbenzene;1,4-dibenzylbenzene;bis(2-ethoxyoxirane);bis(2-(methoxymethyl)oxirane);bis(2-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane);2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane (PubChem CID 161038979) has the molecular formula C112H126O20 and a molecular weight of 1792.22 g/mol. Its IUPAC name is 1,3-dibenzylbenzene;1,4-dibenzylbenzene;bis(2-ethoxyoxirane);bis(2-(methoxymethyl)oxirane);bis(2-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane);2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane.

Molecular Properties

• Compound Name: 1,3-dibenzylbenzene;1,4-dibenzylbenzene;bis(2-ethoxyoxirane);bis(2-(methoxymethyl)oxirane);bis(2-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane);2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane
• PubChem CID: 161038979
• Molecular Formula: C112H126O20
• Molecular Weight: 1792.22 g/mol
• Exact Mass: 1790.88
• IUPAC Name: 1,3-dibenzylbenzene;1,4-dibenzylbenzene;bis(2-ethoxyoxirane);bis(2-(methoxymethyl)oxirane);bis(2-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane);2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane
• SMILES: CCOC1CO1.CCOC1CO1.COCC1CO1.COCC1CO1.c1cc(-c2ccc(OCC3CO3)cc2)ccc1OCC1CO1.c1cc(OCC2CO2)ccc1Cc1ccc(OCC2CO2)cc1.c1cc(OCC2CO2)ccc1Cc1ccc(OCC2CO2)cc1.c1ccc(Cc2ccc(Cc3ccccc3)cc2)cc1.c1ccc(Cc2cccc(Cc3ccccc3)c2)cc1
• InChI: InChI=1S/2C20H18.2C19H20O4.C18H18O4.4C4H8O2/c1-3-8-17(9-4-1)14-19-12-7-13-20(16-19)15-18-10-5-2-6-11-18;1-3-7-17(8-4-1)15-19-11-13-20(14-12-19)16-18-9-5-2-6-10-18;2*1-5-16(20-10-18-12-22-18)6-2-14(1)9-15-3-7-17(8-4-15)21-11-19-13-23-19;1-5-15(19-9-17-11-21-17)6-2-13(1)14-3-7-16(8-4-14)20-10-18-12-22-18;2*1-5-2-4-3-6-4;2*1-2-5-4-3-6-4/h1-13,16H,14-15H2;1-14H,15-16H2;2*1-8,18-19H,9-13H2;1-8,17-18H,9-12H2;4*4H,2-3H2,1H3
• InChIKey: UAQBFPCGLIKUIW-UHFFFAOYSA-N
• XLogP: 19.13
• TPSA: 217.60 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 39
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1792.22
LogP ≤ 5	19.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzylbenzene;1,4-dibenzylbenzene;bis(2-ethoxyoxirane);bis(2-(methoxymethyl)oxirane);bis(2-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane);2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane?

The IUPAC name of 1,3-dibenzylbenzene;1,4-dibenzylbenzene;bis(2-ethoxyoxirane);bis(2-(methoxymethyl)oxirane);bis(2-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane);2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane (CID 161038979) is 1,3-dibenzylbenzene;1,4-dibenzylbenzene;bis(2-ethoxyoxirane);bis(2-(methoxymethyl)oxirane);bis(2-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane);2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane.

What is the SMILES notation for 1,3-dibenzylbenzene;1,4-dibenzylbenzene;bis(2-ethoxyoxirane);bis(2-(methoxymethyl)oxirane);bis(2-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane);2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane?

The canonical SMILES for 1,3-dibenzylbenzene;1,4-dibenzylbenzene;bis(2-ethoxyoxirane);bis(2-(methoxymethyl)oxirane);bis(2-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane);2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane is CCOC1CO1.CCOC1CO1.COCC1CO1.COCC1CO1.c1cc(-c2ccc(OCC3CO3)cc2)ccc1OCC1CO1.c1cc(OCC2CO2)ccc1Cc1ccc(OCC2CO2)cc1.c1cc(OCC2CO2)ccc1Cc1ccc(OCC2CO2)cc1.c1ccc(Cc2ccc(Cc3ccccc3)cc2)cc1.c1ccc(Cc2cccc(Cc3ccccc3)c2)cc1.

What is the InChIKey of 1,3-dibenzylbenzene;1,4-dibenzylbenzene;bis(2-ethoxyoxirane);bis(2-(methoxymethyl)oxirane);bis(2-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane);2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane?

The InChIKey is UAQBFPCGLIKUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H18.2C19H20O4.C18H18O4.4C4H8O2/c1-3-8-17(9-4-1)14-19-12-7-13-20(16-19)15-18-10-5-2-6-11-18;1-3-7-17(8-4-1)15-19-11-13-20(14-12-19)16-18-9-5-2-6-10-18;2*1-5-16(20-10-18-12-22-18)6-2-14(1)9-15-3-7-17(8-4-15)21-11-19-13-23-19;1-5-15(19-9-17-11-21-17)6-2-13(1)14-3-7-16(8-4-14)20-10-18-12-22-18;2*1-5-2-4-3-6-4;2*1-2-5-4-3-6-4/h1-13,16H,14-15H2;1-14H,15-16H2;2*1-8,18-19H,9-13H2;1-8,17-18H,9-12H2;4*4H,2-3H2,1H3.

What are the key properties of 1,3-dibenzylbenzene;1,4-dibenzylbenzene;bis(2-ethoxyoxirane);bis(2-(methoxymethyl)oxirane);bis(2-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane);2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane?

1,3-dibenzylbenzene;1,4-dibenzylbenzene;bis(2-ethoxyoxirane);bis(2-(methoxymethyl)oxirane);bis(2-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane);2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane has a molecular weight of 1792.22 g/mol, XLogP of 19.13, 39 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dibenzylbenzene;1,4-dibenzylbenzene;bis(2-ethoxyoxirane);bis(2-(methoxymethyl)oxirane);bis(2-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane);2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane is sourced from PubChem (CID 161038979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).