2-[[2-(oxiran-2-ylmethoxy)-1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]methyl]oxirane

C17H22O6 — CID 175751698

IUPAC2-[[2-(oxiran-2-ylmethoxy)-1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]methyl]oxirane
SMILESc1cc(C(COCC2CO2)OCC2CO2)ccc1OCC1CO1
InChIInChI=1S/C17H22O6/c1-3-13(19-7-15-8-21-15)4-2-12(1)17(23-10-16-9-22-16)11-18-5-14-6-20-14/h1-4,14-17H,5-11H2
InChIKeyCINBOLMZMTVUBK-UHFFFAOYSA-N
MW322.36 g/mol
LogP1.34
Rot. Bonds11

About 2-[[2-(oxiran-2-ylmethoxy)-1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]methyl]oxirane

2-[[2-(oxiran-2-ylmethoxy)-1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]methyl]oxirane (PubChem CID 175751698) has the molecular formula C17H22O6 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-[[2-(oxiran-2-ylmethoxy)-1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[2-(oxiran-2-ylmethoxy)-1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]methyl]oxirane
PubChem CID175751698
Molecular FormulaC17H22O6
Molecular Weight322.36 g/mol
Exact Mass322.14
IUPAC Name2-[[2-(oxiran-2-ylmethoxy)-1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]methyl]oxirane
SMILESc1cc(C(COCC2CO2)OCC2CO2)ccc1OCC1CO1
InChIInChI=1S/C17H22O6/c1-3-13(19-7-15-8-21-15)4-2-12(1)17(23-10-16-9-22-16)11-18-5-14-6-20-14/h1-4,14-17H,5-11H2
InChIKeyCINBOLMZMTVUBK-UHFFFAOYSA-N
XLogP1.34
TPSA65.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 146313445
N-[1,3-bis(oxiran-2-ylmethoxy)propan-2-yl]-4-(oxiran-2-ylmethoxy)aniline
CID 166996187
2-[[4-(dibromomethyl)phenoxy]methyl]oxirane
CID 87292739
2-[[4-(2,2,4,4-tetramethylpentan-3-yl)phenoxy]methyl]oxirane
CID 123506072
2-[[4-[2,2-bis(4-butoxyphenyl)-1-[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane
CID 118013692
1,3-bis[4-(oxiran-2-ylmethoxy)phenoxy]propan-2-ol
CID 59079287
2-[[4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane
CID 86030430
2-[[4-(1-methoxyethyl)phenoxy]methyl]oxirane
CID 22359743
bis[4-(oxiran-2-ylmethoxy)phenyl]diazene
CID 4055525
1,3-bis[4-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]propan-2-ol
CID 54276038
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-(oxiran-2-ylmethoxy)-1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]methyl]oxirane?
The IUPAC name of 2-[[2-(oxiran-2-ylmethoxy)-1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]methyl]oxirane (CID 175751698) is 2-[[2-(oxiran-2-ylmethoxy)-1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]methyl]oxirane.
What is the SMILES notation for 2-[[2-(oxiran-2-ylmethoxy)-1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]methyl]oxirane?
The canonical SMILES for 2-[[2-(oxiran-2-ylmethoxy)-1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]methyl]oxirane is c1cc(C(COCC2CO2)OCC2CO2)ccc1OCC1CO1.
What is the InChIKey of 2-[[2-(oxiran-2-ylmethoxy)-1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]methyl]oxirane?
The InChIKey is CINBOLMZMTVUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O6/c1-3-13(19-7-15-8-21-15)4-2-12(1)17(23-10-16-9-22-16)11-18-5-14-6-20-14/h1-4,14-17H,5-11H2.
What are the key properties of 2-[[2-(oxiran-2-ylmethoxy)-1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]methyl]oxirane?
2-[[2-(oxiran-2-ylmethoxy)-1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]methyl]oxirane has a molecular weight of 322.36 g/mol, XLogP of 1.34, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(oxiran-2-ylmethoxy)-1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]methyl]oxirane is sourced from PubChem (CID 175751698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).