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

C56H58O8 — CID 130209641

IUPAC2-[[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
SMILESC=CCc1cc(C(c2ccc(C(c3ccc(OCC4CO4)c(CC=C)c3)c3ccc(OCC4CO4)c(CC=C)c3)cc2)c2ccc(OCC3CO3)c(CC=C)c2)ccc1OCC1CO1
InChIInChI=1S/C56H58O8/c1-5-9-39-25-43(17-21-51(39)61-33-47-29-57-47)55(44-18-22-52(40(26-44)10-6-2)62-34-48-30-58-48)37-13-15-38(16-14-37)56(45-19-23-53(41(27-45)11-7-3)63-35-49-31-59-49)46-20-24-54(42(28-46)12-8-4)64-36-50-32-60-50/h5-8,13-28,47-50,55-56H,1-4,9-12,29-36H2
InChIKeyMJPQZWZUIFEHFJ-UHFFFAOYSA-N
MW859.07 g/mol
LogP10.07
Rot. Bonds26

About 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

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 (PubChem CID 130209641) has the molecular formula C56H58O8 and a molecular weight of 859.07 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[[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
PubChem CID130209641
Molecular FormulaC56H58O8
Molecular Weight859.07 g/mol
Exact Mass858.41
IUPAC Name2-[[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
SMILESC=CCc1cc(C(c2ccc(C(c3ccc(OCC4CO4)c(CC=C)c3)c3ccc(OCC4CO4)c(CC=C)c3)cc2)c2ccc(OCC3CO3)c(CC=C)c2)ccc1OCC1CO1
InChIInChI=1S/C56H58O8/c1-5-9-39-25-43(17-21-51(39)61-33-47-29-57-47)55(44-18-22-52(40(26-44)10-6-2)62-34-48-30-58-48)37-13-15-38(16-14-37)56(45-19-23-53(41(27-45)11-7-3)63-35-49-31-59-49)46-20-24-54(42(28-46)12-8-4)64-36-50-32-60-50/h5-8,13-28,47-50,55-56H,1-4,9-12,29-36H2
InChIKeyMJPQZWZUIFEHFJ-UHFFFAOYSA-N
XLogP10.07
TPSA87.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds26
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.07
LogP ≤ 510.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'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-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]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-(2-methoxyethoxy)-3-prop-2-enylphenyl]methyl]-2-(2-methylprop-2-enyl)phenoxy]methyl]oxirane
CID 135292978
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
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
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
2-(1-chloroprop-2-enoxymethyl)oxirane;2-[(2-prop-2-enylphenoxy)methyl]oxirane
CID 88608040
N-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]ethenyl]acetamide
CID 54033017
1-[1-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxy-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 102120197
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
2-[(3-benzhydrylphenoxy)methyl]oxirane
CID 123717672
4-[(5-methyloxolan-2-yl)methoxy]-3-prop-2-enylaniline
CID 103132623

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CCc1cc(C(c2ccc(C(c3ccc(OCC4CO4)c(CC=C)c3)c3ccc(OCC4CO4)c(CC=C)c3)cc2)c2ccc(OCC3CO3)c(CC=C)c2)ccc1OCC1CO1.
What is the InChIKey of 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?
The InChIKey is MJPQZWZUIFEHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H58O8/c1-5-9-39-25-43(17-21-51(39)61-33-47-29-57-47)55(44-18-22-52(40(26-44)10-6-2)62-34-48-30-58-48)37-13-15-38(16-14-37)56(45-19-23-53(41(27-45)11-7-3)63-35-49-31-59-49)46-20-24-54(42(28-46)12-8-4)64-36-50-32-60-50/h5-8,13-28,47-50,55-56H,1-4,9-12,29-36H2.
What are the key properties of 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?
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 has a molecular weight of 859.07 g/mol, XLogP of 10.07, 26 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-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]methyl]oxirane is sourced from PubChem (CID 130209641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).