2-[2-[2,4-dimethyl-6-[[2-[2-(oxiran-2-ylmethoxy)ethoxy]-5-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenyl]-[3-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]cyclopenta-2,4-dien-1-yl]methyl]phenoxy]ethoxymethyl]oxirane

C52H60O12 — CID 156545125

IUPAC2-[2-[2,4-dimethyl-6-[[2-[2-(oxiran-2-ylmethoxy)ethoxy]-5-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenyl]-[3-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]cyclopenta-2,4-dien-1-yl]methyl]phenoxy]ethoxymethyl]oxirane
SMILESCc1cc(C)c(OCCOCC2CO2)c(C(c2cc(-c3ccc(OCCOCC4CO4)cc3)ccc2OCCOCC2CO2)C2C=CC(c3ccc(OCCOCC4CO4)cc3)=C2)c1
InChIInChI=1S/C52H60O12/c1-35-23-36(2)52(60-22-18-56-30-47-34-64-47)49(24-35)51(41-4-3-39(25-41)37-5-10-42(11-6-37)57-19-15-53-27-44-31-61-44)48-26-40(9-14-50(48)59-21-17-55-29-46-33-63-46)38-7-12-43(13-8-38)58-20-16-54-28-45-32-62-45/h3-14,23-26,41,44-47,51H,15-22,27-34H2,1-2H3
InChIKeyGPZDWHDIUGMLAE-UHFFFAOYSA-N
MW877.04 g/mol
LogP7.55
Rot. Bonds29

About 2-[2-[2,4-dimethyl-6-[[2-[2-(oxiran-2-ylmethoxy)ethoxy]-5-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenyl]-[3-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]cyclopenta-2,4-dien-1-yl]methyl]phenoxy]ethoxymethyl]oxirane

2-[2-[2,4-dimethyl-6-[[2-[2-(oxiran-2-ylmethoxy)ethoxy]-5-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenyl]-[3-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]cyclopenta-2,4-dien-1-yl]methyl]phenoxy]ethoxymethyl]oxirane (PubChem CID 156545125) has the molecular formula C52H60O12 and a molecular weight of 877.04 g/mol. Its IUPAC name is 2-[2-[2,4-dimethyl-6-[[2-[2-(oxiran-2-ylmethoxy)ethoxy]-5-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenyl]-[3-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]cyclopenta-2,4-dien-1-yl]methyl]phenoxy]ethoxymethyl]oxirane.

Molecular Properties

Compound Name2-[2-[2,4-dimethyl-6-[[2-[2-(oxiran-2-ylmethoxy)ethoxy]-5-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenyl]-[3-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]cyclopenta-2,4-dien-1-yl]methyl]phenoxy]ethoxymethyl]oxirane
PubChem CID156545125
Molecular FormulaC52H60O12
Molecular Weight877.04 g/mol
Exact Mass876.41
IUPAC Name2-[2-[2,4-dimethyl-6-[[2-[2-(oxiran-2-ylmethoxy)ethoxy]-5-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenyl]-[3-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]cyclopenta-2,4-dien-1-yl]methyl]phenoxy]ethoxymethyl]oxirane
SMILESCc1cc(C)c(OCCOCC2CO2)c(C(c2cc(-c3ccc(OCCOCC4CO4)cc3)ccc2OCCOCC2CO2)C2C=CC(c3ccc(OCCOCC4CO4)cc3)=C2)c1
InChIInChI=1S/C52H60O12/c1-35-23-36(2)52(60-22-18-56-30-47-34-64-47)49(24-35)51(41-4-3-39(25-41)37-5-10-42(11-6-37)57-19-15-53-27-44-31-61-44)48-26-40(9-14-50(48)59-21-17-55-29-46-33-63-46)38-7-12-43(13-8-38)58-20-16-54-28-45-32-62-45/h3-14,23-26,41,44-47,51H,15-22,27-34H2,1-2H3
InChIKeyGPZDWHDIUGMLAE-UHFFFAOYSA-N
XLogP7.55
TPSA123.96 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds29
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500877.04
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-[2-[2,4-dimethyl-6-[[2-[2-(oxiran-2-ylmethoxy)ethoxy]-5-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenyl]-[3-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]cyclopenta-2,4-dien-1-yl]methyl]phenoxy]ethoxymethyl]oxirane with MolForge

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Related Compounds

2-[[2,4-dimethyl-6-[[2-(oxiran-2-ylmethoxy)-5-[4-(oxiran-2-ylmethoxy)phenyl]phenyl]-[3-[4-(oxiran-2-ylmethoxy)phenyl]cyclopenta-2,4-dien-1-yl]methyl]phenoxy]methyl]oxirane
CID 156545179
2-[2-[(4-ethenylphenyl)methoxy]ethoxy]-1-[[2-[2-[(4-ethenylphenyl)methoxy]ethoxy]-5-[4-[2-[(4-ethenylphenyl)methoxy]ethoxy]phenyl]phenyl]-[3-[4-[2-[(4-ethenylphenyl)methoxy]ethoxy]phenyl]cyclopenta-2,4-dien-1-yl]methyl]-3,5-dimethylbenzene
CID 156545152
2-[2-[2-butan-2-yl-4-[4-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenyl]phenoxy]ethoxymethyl]oxirane
CID 87442404
2-[2-[4-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenoxy]ethoxymethyl]oxirane
CID 87441812
2-[2-[2-methyl-4-[3-methyl-5-[[3-methyl-5-[3-methyl-4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]-2-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]-phenylmethyl]-4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenoxy]ethoxymethyl]oxirane
CID 155033612
2-[2-[2,4-diiodo-6-[[2-[2-(oxiran-2-ylmethoxy)ethoxy]-5-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenyl]-[3-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenyl]methyl]phenoxy]ethoxymethyl]oxirane
CID 160896673
4-[2-(oxiran-2-ylmethoxy)ethoxy]benzaldehyde;propan-2-ol
CID 18939129
2-[3-[4-[3,5-dimethyl-4-[3-(oxiran-2-ylmethoxy)propoxy]phenyl]-2,6-dimethylphenoxy]propoxymethyl]oxirane
CID 101109293
2-[6-(4-phenylphenoxy)hexoxymethyl]oxirane
CID 100977910
1,3,5-trimethyl-2-[2-(4-methylphenoxy)ethoxy]benzene
CID 143724561
2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 146313445
2-[[4-[3-fluoro-4-[[4-(oxiran-2-ylmethoxymethoxy)phenoxy]methoxy]phenyl]phenoxy]methoxymethyl]oxirane
CID 59790799

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2,4-dimethyl-6-[[2-[2-(oxiran-2-ylmethoxy)ethoxy]-5-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenyl]-[3-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]cyclopenta-2,4-dien-1-yl]methyl]phenoxy]ethoxymethyl]oxirane?
The IUPAC name of 2-[2-[2,4-dimethyl-6-[[2-[2-(oxiran-2-ylmethoxy)ethoxy]-5-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenyl]-[3-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]cyclopenta-2,4-dien-1-yl]methyl]phenoxy]ethoxymethyl]oxirane (CID 156545125) is 2-[2-[2,4-dimethyl-6-[[2-[2-(oxiran-2-ylmethoxy)ethoxy]-5-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenyl]-[3-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]cyclopenta-2,4-dien-1-yl]methyl]phenoxy]ethoxymethyl]oxirane.
What is the SMILES notation for 2-[2-[2,4-dimethyl-6-[[2-[2-(oxiran-2-ylmethoxy)ethoxy]-5-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenyl]-[3-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]cyclopenta-2,4-dien-1-yl]methyl]phenoxy]ethoxymethyl]oxirane?
The canonical SMILES for 2-[2-[2,4-dimethyl-6-[[2-[2-(oxiran-2-ylmethoxy)ethoxy]-5-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenyl]-[3-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]cyclopenta-2,4-dien-1-yl]methyl]phenoxy]ethoxymethyl]oxirane is Cc1cc(C)c(OCCOCC2CO2)c(C(c2cc(-c3ccc(OCCOCC4CO4)cc3)ccc2OCCOCC2CO2)C2C=CC(c3ccc(OCCOCC4CO4)cc3)=C2)c1.
What is the InChIKey of 2-[2-[2,4-dimethyl-6-[[2-[2-(oxiran-2-ylmethoxy)ethoxy]-5-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenyl]-[3-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]cyclopenta-2,4-dien-1-yl]methyl]phenoxy]ethoxymethyl]oxirane?
The InChIKey is GPZDWHDIUGMLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H60O12/c1-35-23-36(2)52(60-22-18-56-30-47-34-64-47)49(24-35)51(41-4-3-39(25-41)37-5-10-42(11-6-37)57-19-15-53-27-44-31-61-44)48-26-40(9-14-50(48)59-21-17-55-29-46-33-63-46)38-7-12-43(13-8-38)58-20-16-54-28-45-32-62-45/h3-14,23-26,41,44-47,51H,15-22,27-34H2,1-2H3.
What are the key properties of 2-[2-[2,4-dimethyl-6-[[2-[2-(oxiran-2-ylmethoxy)ethoxy]-5-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenyl]-[3-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]cyclopenta-2,4-dien-1-yl]methyl]phenoxy]ethoxymethyl]oxirane?
2-[2-[2,4-dimethyl-6-[[2-[2-(oxiran-2-ylmethoxy)ethoxy]-5-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenyl]-[3-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]cyclopenta-2,4-dien-1-yl]methyl]phenoxy]ethoxymethyl]oxirane has a molecular weight of 877.04 g/mol, XLogP of 7.55, 29 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2,4-dimethyl-6-[[2-[2-(oxiran-2-ylmethoxy)ethoxy]-5-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenyl]-[3-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]cyclopenta-2,4-dien-1-yl]methyl]phenoxy]ethoxymethyl]oxirane is sourced from PubChem (CID 156545125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).