(2Z)-2-[[4-[bis[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methylidene]oxirane

C28H26O6 — CID 166989043

IUPAC(2Z)-2-[[4-[bis[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methylidene]oxirane
SMILESC(\Oc1ccc(C(c2ccc(OCC3CO3)cc2)c2ccc(OCC3CO3)cc2)cc1)=C1/CO1
InChIInChI=1S/C28H26O6/c1-7-22(29-13-25-16-32-25)8-2-19(1)28(20-3-9-23(10-4-20)30-14-26-17-33-26)21-5-11-24(12-6-21)31-15-27-18-34-27/h1-13,26-28H,14-18H2/b25-13-
InChIKeyGNFSONOTWNCLPF-MXAYSNPKSA-N
MW458.51 g/mol
LogP4.67
Rot. Bonds11

About (2Z)-2-[[4-[bis[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methylidene]oxirane

(2Z)-2-[[4-[bis[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methylidene]oxirane (PubChem CID 166989043) has the molecular formula C28H26O6 and a molecular weight of 458.51 g/mol. Its IUPAC name is (2Z)-2-[[4-[bis[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methylidene]oxirane.

Molecular Properties

Compound Name(2Z)-2-[[4-[bis[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methylidene]oxirane
PubChem CID166989043
Molecular FormulaC28H26O6
Molecular Weight458.51 g/mol
Exact Mass458.17
IUPAC Name(2Z)-2-[[4-[bis[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methylidene]oxirane
SMILESC(\Oc1ccc(C(c2ccc(OCC3CO3)cc2)c2ccc(OCC3CO3)cc2)cc1)=C1/CO1
InChIInChI=1S/C28H26O6/c1-7-22(29-13-25-16-32-25)8-2-19(1)28(20-3-9-23(10-4-20)30-14-26-17-33-26)21-5-11-24(12-6-21)31-15-27-18-34-27/h1-13,26-28H,14-18H2/b25-13-
InChIKeyGNFSONOTWNCLPF-MXAYSNPKSA-N
XLogP4.67
TPSA65.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze (2Z)-2-[[4-[bis[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methylidene]oxirane with MolForge

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Related Compounds

(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
2-[4-[bis[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]oxetane
CID 130316322
2-[[4-(dibromomethyl)phenoxy]methyl]oxirane
CID 87292739
2-[[4-(1-methoxyethyl)phenoxy]methyl]oxirane
CID 22359743
2-[[4-(2,2,4,4-tetramethylpentan-3-yl)phenoxy]methyl]oxirane
CID 123506072
2-[(3-benzhydrylphenoxy)methyl]oxirane
CID 123717672
2-[[4-[2,2-bis(4-butoxyphenyl)-1-[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane
CID 118013692
2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 146313445
bis[4-(oxiran-2-ylmethoxy)phenyl]diazene
CID 4055525
1,3-bis[4-(oxiran-2-ylmethoxy)phenoxy]propan-2-ol
CID 59079287
2-[[4-[bis[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]phenoxy]methyl]oxirane
CID 19089002
2-[[2-(oxiran-2-ylmethoxy)-1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]methyl]oxirane
CID 175751698

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[[4-[bis[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methylidene]oxirane?
The IUPAC name of (2Z)-2-[[4-[bis[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methylidene]oxirane (CID 166989043) is (2Z)-2-[[4-[bis[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methylidene]oxirane.
What is the SMILES notation for (2Z)-2-[[4-[bis[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methylidene]oxirane?
The canonical SMILES for (2Z)-2-[[4-[bis[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methylidene]oxirane is C(\Oc1ccc(C(c2ccc(OCC3CO3)cc2)c2ccc(OCC3CO3)cc2)cc1)=C1/CO1.
What is the InChIKey of (2Z)-2-[[4-[bis[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methylidene]oxirane?
The InChIKey is GNFSONOTWNCLPF-MXAYSNPKSA-N. The full InChI is InChI=1S/C28H26O6/c1-7-22(29-13-25-16-32-25)8-2-19(1)28(20-3-9-23(10-4-20)30-14-26-17-33-26)21-5-11-24(12-6-21)31-15-27-18-34-27/h1-13,26-28H,14-18H2/b25-13-.
What are the key properties of (2Z)-2-[[4-[bis[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methylidene]oxirane?
(2Z)-2-[[4-[bis[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methylidene]oxirane has a molecular weight of 458.51 g/mol, XLogP of 4.67, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[[4-[bis[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methylidene]oxirane is sourced from PubChem (CID 166989043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).