2-[[2-[2-ethyl-2-[2-(oxiran-2-ylmethoxy)-3-[2-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propyl]-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]butyl]-4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane

C72H86O12 — CID 88850017

IUPAC2-[[2-[2-ethyl-2-[2-(oxiran-2-ylmethoxy)-3-[2-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propyl]-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]butyl]-4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
SMILESCCC(CC)(Cc1cc(C(C)(C)c2ccc(OCC3CO3)cc2)ccc1OCC1CO1)c1cc(C(C)(C)c2ccc(OCC3CO3)cc2)cc(CC(C)c2cc(C(C)(C)c3ccc(OCC4CO4)cc3)ccc2OCC2CO2)c1OCC1CO1
InChIInChI=1S/C72H86O12/c1-10-72(11-2,33-48-30-52(18-26-66(48)82-43-61-40-79-61)69(4,5)49-12-20-55(21-13-49)73-34-58-37-76-58)65-32-54(71(8,9)51-16-24-57(25-17-51)75-36-60-39-78-60)29-47(68(65)84-45-63-42-81-63)28-46(3)64-31-53(19-27-67(64)83-44-62-41-80-62)70(6,7)50-14-22-56(23-15-50)74-35-59-38-77-59/h12-27,29-32,46,58-63H,10-11,28,33-45H2,1-9H3
InChIKeyFMRLMHCBDUBNFP-UHFFFAOYSA-N
MW1143.47 g/mol
LogP12.98
Rot. Bonds32

About 2-[[2-[2-ethyl-2-[2-(oxiran-2-ylmethoxy)-3-[2-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propyl]-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]butyl]-4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane

2-[[2-[2-ethyl-2-[2-(oxiran-2-ylmethoxy)-3-[2-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propyl]-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]butyl]-4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane (PubChem CID 88850017) has the molecular formula C72H86O12 and a molecular weight of 1143.47 g/mol. Its IUPAC name is 2-[[2-[2-ethyl-2-[2-(oxiran-2-ylmethoxy)-3-[2-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propyl]-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]butyl]-4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[2-[2-ethyl-2-[2-(oxiran-2-ylmethoxy)-3-[2-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propyl]-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]butyl]-4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
PubChem CID88850017
Molecular FormulaC72H86O12
Molecular Weight1143.47 g/mol
Exact Mass1142.61
IUPAC Name2-[[2-[2-ethyl-2-[2-(oxiran-2-ylmethoxy)-3-[2-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propyl]-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]butyl]-4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
SMILESCCC(CC)(Cc1cc(C(C)(C)c2ccc(OCC3CO3)cc2)ccc1OCC1CO1)c1cc(C(C)(C)c2ccc(OCC3CO3)cc2)cc(CC(C)c2cc(C(C)(C)c3ccc(OCC4CO4)cc3)ccc2OCC2CO2)c1OCC1CO1
InChIInChI=1S/C72H86O12/c1-10-72(11-2,33-48-30-52(18-26-66(48)82-43-61-40-79-61)69(4,5)49-12-20-55(21-13-49)73-34-58-37-76-58)65-32-54(71(8,9)51-16-24-57(25-17-51)75-36-60-39-78-60)29-47(68(65)84-45-63-42-81-63)28-46(3)64-31-53(19-27-67(64)83-44-62-41-80-62)70(6,7)50-14-22-56(23-15-50)74-35-59-38-77-59/h12-27,29-32,46,58-63H,10-11,28,33-45H2,1-9H3
InChIKeyFMRLMHCBDUBNFP-UHFFFAOYSA-N
XLogP12.98
TPSA130.56 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds32
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001143.47
LogP ≤ 512.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-[[2-[2-ethyl-2-[2-(oxiran-2-ylmethoxy)-3-[2-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propyl]-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]butyl]-4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane with MolForge

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Launch Full Analysis

Related Compounds

2-[[2-[2-methyl-1-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)-2-[3-[[5-(oxiran-2-ylmethoxy)-2-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]methyl]pentan-3-yl]phenyl]propan-2-yl]phenyl]hexan-2-yl]-4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
CID 89133053
2-[[2-methyl-4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
CID 59027775
2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-propan-2-ylphenyl]propan-2-yl]-2-propan-2-ylphenoxy]methyl]oxirane
CID 142418463
2-[4-[2-[4-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]methyl]-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]methyl]-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]methyl]phenyl]propan-2-yl]phenoxy]oxetane
CID 149288752
2-[[4-[2-[4-[1,1-bis[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenyl]propan-2-yl]-2,6-dimethylphenoxy]methyl]oxirane
CID 22168382
triethoxy-[3-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propyl]silane
CID 90233850
2-[[4-[bis[5-tert-butyl-2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
CID 54048313
1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 20685097
1-[4-[1-[4-(2-hydroxypropoxy)phenyl]-1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]ethyl]phenoxy]propan-2-ol
CID 57097261
2-[[4-[2-[4-[1,1-bis[2-(oxiran-2-ylmethoxy)phenyl]ethyl]phenyl]propan-2-yl]phenoxy]methyl]oxirane
CID 87592763
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-(oxiran-2-ylmethoxymethyl)oxirane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
CID 18780787

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-ethyl-2-[2-(oxiran-2-ylmethoxy)-3-[2-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propyl]-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]butyl]-4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane?
The IUPAC name of 2-[[2-[2-ethyl-2-[2-(oxiran-2-ylmethoxy)-3-[2-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propyl]-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]butyl]-4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane (CID 88850017) is 2-[[2-[2-ethyl-2-[2-(oxiran-2-ylmethoxy)-3-[2-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propyl]-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]butyl]-4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[2-[2-ethyl-2-[2-(oxiran-2-ylmethoxy)-3-[2-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propyl]-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]butyl]-4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane?
The canonical SMILES for 2-[[2-[2-ethyl-2-[2-(oxiran-2-ylmethoxy)-3-[2-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propyl]-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]butyl]-4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane is CCC(CC)(Cc1cc(C(C)(C)c2ccc(OCC3CO3)cc2)ccc1OCC1CO1)c1cc(C(C)(C)c2ccc(OCC3CO3)cc2)cc(CC(C)c2cc(C(C)(C)c3ccc(OCC4CO4)cc3)ccc2OCC2CO2)c1OCC1CO1.
What is the InChIKey of 2-[[2-[2-ethyl-2-[2-(oxiran-2-ylmethoxy)-3-[2-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propyl]-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]butyl]-4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane?
The InChIKey is FMRLMHCBDUBNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H86O12/c1-10-72(11-2,33-48-30-52(18-26-66(48)82-43-61-40-79-61)69(4,5)49-12-20-55(21-13-49)73-34-58-37-76-58)65-32-54(71(8,9)51-16-24-57(25-17-51)75-36-60-39-78-60)29-47(68(65)84-45-63-42-81-63)28-46(3)64-31-53(19-27-67(64)83-44-62-41-80-62)70(6,7)50-14-22-56(23-15-50)74-35-59-38-77-59/h12-27,29-32,46,58-63H,10-11,28,33-45H2,1-9H3.
What are the key properties of 2-[[2-[2-ethyl-2-[2-(oxiran-2-ylmethoxy)-3-[2-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propyl]-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]butyl]-4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane?
2-[[2-[2-ethyl-2-[2-(oxiran-2-ylmethoxy)-3-[2-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propyl]-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]butyl]-4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane has a molecular weight of 1143.47 g/mol, XLogP of 12.98, 32 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-ethyl-2-[2-(oxiran-2-ylmethoxy)-3-[2-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propyl]-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]butyl]-4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane is sourced from PubChem (CID 88850017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).