2-[[4-[[4-[bis[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]phenyl]-[4-(2-methoxyethoxy)-3-prop-2-enylphenyl]methyl]-2-(2-methylprop-2-enyl)phenoxy]methyl]oxirane

C57H62O8 — CID 135292978

IUPAC2-[[4-[[4-[bis[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]phenyl]-[4-(2-methoxyethoxy)-3-prop-2-enylphenyl]methyl]-2-(2-methylprop-2-enyl)phenoxy]methyl]oxirane
SMILESC=CCc1cc(C(c2ccc(C(c3ccc(OCC4CO4)c(CC=C)c3)c3ccc(OCC4CO4)c(CC=C)c3)cc2)c2ccc(OCC3CO3)c(CC(=C)C)c2)ccc1OCCOC
InChIInChI=1S/C57H62O8/c1-7-10-41-28-44(17-21-52(41)59-26-25-58-6)57(47-20-24-55(65-37-51-34-62-51)48(31-47)27-38(4)5)40-15-13-39(14-16-40)56(45-18-22-53(42(29-45)11-8-2)63-35-49-32-60-49)46-19-23-54(43(30-46)12-9-3)64-36-50-33-61-50/h7-9,13-24,28-31,49-51,56-57H,1-4,10-12,25-27,32-37H2,5-6H3
InChIKeyTYNIPJBPKOIDRQ-UHFFFAOYSA-N
MW875.11 g/mol
LogP10.71
Rot. Bonds27

About 2-[[4-[[4-[bis[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]phenyl]-[4-(2-methoxyethoxy)-3-prop-2-enylphenyl]methyl]-2-(2-methylprop-2-enyl)phenoxy]methyl]oxirane

2-[[4-[[4-[bis[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]phenyl]-[4-(2-methoxyethoxy)-3-prop-2-enylphenyl]methyl]-2-(2-methylprop-2-enyl)phenoxy]methyl]oxirane (PubChem CID 135292978) has the molecular formula C57H62O8 and a molecular weight of 875.11 g/mol. Its IUPAC name is 2-[[4-[[4-[bis[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]phenyl]-[4-(2-methoxyethoxy)-3-prop-2-enylphenyl]methyl]-2-(2-methylprop-2-enyl)phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[4-[[4-[bis[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]phenyl]-[4-(2-methoxyethoxy)-3-prop-2-enylphenyl]methyl]-2-(2-methylprop-2-enyl)phenoxy]methyl]oxirane
PubChem CID135292978
Molecular FormulaC57H62O8
Molecular Weight875.11 g/mol
Exact Mass874.44
IUPAC Name2-[[4-[[4-[bis[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]phenyl]-[4-(2-methoxyethoxy)-3-prop-2-enylphenyl]methyl]-2-(2-methylprop-2-enyl)phenoxy]methyl]oxirane
SMILESC=CCc1cc(C(c2ccc(C(c3ccc(OCC4CO4)c(CC=C)c3)c3ccc(OCC4CO4)c(CC=C)c3)cc2)c2ccc(OCC3CO3)c(CC(=C)C)c2)ccc1OCCOC
InChIInChI=1S/C57H62O8/c1-7-10-41-28-44(17-21-52(41)59-26-25-58-6)57(47-20-24-55(65-37-51-34-62-51)48(31-47)27-38(4)5)40-15-13-39(14-16-40)56(45-18-22-53(42(29-45)11-8-2)63-35-49-32-60-49)46-19-23-54(43(30-46)12-9-3)64-36-50-33-61-50/h7-9,13-24,28-31,49-51,56-57H,1-4,10-12,25-27,32-37H2,5-6H3
InChIKeyTYNIPJBPKOIDRQ-UHFFFAOYSA-N
XLogP10.71
TPSA83.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds27
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.11
LogP ≤ 510.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[[4-[[4-[bis[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]phenyl]-[4-(2-methoxyethoxy)-3-prop-2-enylphenyl]methyl]-2-(2-methylprop-2-enyl)phenoxy]methyl]oxirane with MolForge

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Related Compounds

2-[[4-[[4-[bis[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]phenyl]-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]methyl]oxirane
CID 130209641
N-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]ethenyl]acetamide
CID 54033017
2-[[4-[2-[4-[1,1-bis[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]ethyl]phenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxirane
CID 130209636
2-[[6-(oxiran-2-ylmethoxy)-1,3,5-tris(prop-2-enyl)naphthalen-2-yl]oxymethyl]oxirane
CID 90233959
2-[[4-[4-(cyclopropylmethoxy)-3-prop-2-enylphenyl]phenoxy]methyl]oxirane
CID 90250128
bis(dimethylsilyloxy)-dimethylsilane;2-[[4-[[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]methyl]oxirane
CID 158570112
2-[4-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]oxetane
CID 130314268
1-(2-methoxyethoxy)-4-[2-(4-methyl-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene
CID 144907753
2-(1-chloroprop-2-enoxymethyl)oxirane;2-[(2-prop-2-enylphenoxy)methyl]oxirane
CID 88608040
1-[1-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxy-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 102120197
2-[[2-(2-methylprop-2-enoxy)phenoxy]methyl]oxirane
CID 13171806
dipotassium;2-(chloromethyl)oxirane;hydride;4-(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol;oxido formate;2-[[4-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]-2-prop-2-enylphenoxy]methyl]oxirane
CID 162006186

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[4-[bis[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]phenyl]-[4-(2-methoxyethoxy)-3-prop-2-enylphenyl]methyl]-2-(2-methylprop-2-enyl)phenoxy]methyl]oxirane?
The IUPAC name of 2-[[4-[[4-[bis[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]phenyl]-[4-(2-methoxyethoxy)-3-prop-2-enylphenyl]methyl]-2-(2-methylprop-2-enyl)phenoxy]methyl]oxirane (CID 135292978) is 2-[[4-[[4-[bis[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]phenyl]-[4-(2-methoxyethoxy)-3-prop-2-enylphenyl]methyl]-2-(2-methylprop-2-enyl)phenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[4-[[4-[bis[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]phenyl]-[4-(2-methoxyethoxy)-3-prop-2-enylphenyl]methyl]-2-(2-methylprop-2-enyl)phenoxy]methyl]oxirane?
The canonical SMILES for 2-[[4-[[4-[bis[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]phenyl]-[4-(2-methoxyethoxy)-3-prop-2-enylphenyl]methyl]-2-(2-methylprop-2-enyl)phenoxy]methyl]oxirane is C=CCc1cc(C(c2ccc(C(c3ccc(OCC4CO4)c(CC=C)c3)c3ccc(OCC4CO4)c(CC=C)c3)cc2)c2ccc(OCC3CO3)c(CC(=C)C)c2)ccc1OCCOC.
What is the InChIKey of 2-[[4-[[4-[bis[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]phenyl]-[4-(2-methoxyethoxy)-3-prop-2-enylphenyl]methyl]-2-(2-methylprop-2-enyl)phenoxy]methyl]oxirane?
The InChIKey is TYNIPJBPKOIDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H62O8/c1-7-10-41-28-44(17-21-52(41)59-26-25-58-6)57(47-20-24-55(65-37-51-34-62-51)48(31-47)27-38(4)5)40-15-13-39(14-16-40)56(45-18-22-53(42(29-45)11-8-2)63-35-49-32-60-49)46-19-23-54(43(30-46)12-9-3)64-36-50-33-61-50/h7-9,13-24,28-31,49-51,56-57H,1-4,10-12,25-27,32-37H2,5-6H3.
What are the key properties of 2-[[4-[[4-[bis[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]phenyl]-[4-(2-methoxyethoxy)-3-prop-2-enylphenyl]methyl]-2-(2-methylprop-2-enyl)phenoxy]methyl]oxirane?
2-[[4-[[4-[bis[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]phenyl]-[4-(2-methoxyethoxy)-3-prop-2-enylphenyl]methyl]-2-(2-methylprop-2-enyl)phenoxy]methyl]oxirane has a molecular weight of 875.11 g/mol, XLogP of 10.71, 27 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[4-[bis[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]phenyl]-[4-(2-methoxyethoxy)-3-prop-2-enylphenyl]methyl]-2-(2-methylprop-2-enyl)phenoxy]methyl]oxirane is sourced from PubChem (CID 135292978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).